UCSF

ZINC39913126

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 5.05 9.21 -10.12 1 6 0 80 492.753 4
Hi High (pH 8-9.5) 5.05 10.13 -46.95 0 6 -1 83 491.745 4

Activity (Go SEA)

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