UCSF

ZINC36790050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 Yes

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) 2.05 4.74 -104.49 4 2 2 32 188.359 7
Hi High (pH 8-9.5) 2.05 4.35 -28.73 3 2 1 30 187.351 7
Mid Mid (pH 6-8) 2.05 2.96 -43.49 3 2 1 31 187.351 7

Activity (Go SEA)

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