UCSF

ZINC37869543

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) 2.20 2.11 -36.74 4 3 1 60 173.28 7
Hi High (pH 8-9.5) 2.20 1.09 -5.91 3 3 0 55 172.272 7

Activity (Go SEA)

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