UCSF

ZINC37823482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -0.52 1.79 -47.14 3 5 1 74 203.262 5
Hi High (pH 8-9.5) -0.52 1.46 -10.79 2 5 0 73 202.254 5

Activity (Go SEA)

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