UCSF

ZINC36790208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 4.20 8.2 -126.18 4 2 2 32 278.484 7
Hi High (pH 8-9.5) 4.20 7.83 -30.15 3 2 1 30 277.476 7
Hi High (pH 8-9.5) 4.20 7.03 -42.7 3 2 1 31 277.476 7

Activity (Go SEA)

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