UCSF

ZINC37171769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.81 2.81 -41.29 3 3 1 48 173.28 5
Hi High (pH 8-9.5) 0.81 2.58 -6.44 2 3 0 46 172.272 5

Activity (Go SEA)

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