UCSF

ZINC36358556

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 Yes

Popular Name: (4S)-4-(3-chloro-4-hydroxy-phenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[3,4-b (4S)-4-(3-chloro-4-hydroxy-pheny…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 3.4 -14.88 2 7 0 96 390.23 2 ↓
Ref Reference (pH 7) 3.23 6.11 -15.26 2 7 0 93 390.23 2 ↓
Hi High (pH 8-9.5) 3.42 4.17 -53.64 1 7 -1 99 389.222 2 ↓
Hi High (pH 8-9.5) 3.23 6.88 -54.58 1 7 -1 96 389.222 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )