UCSF

ZINC37821671

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.49 6.48 -40.96 3 4 1 51 280.367 3
Mid Mid (pH 6-8) 1.49 4.53 -5.96 2 4 0 50 279.359 3

Activity (Go SEA)

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