UCSF

ZINC42447478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 3.06 6.54 -117.34 4 2 2 32 212.381 3
Mid Mid (pH 6-8) 3.06 6.3 -31 3 2 1 30 211.373 3

Activity (Go SEA)

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