UCSF

ZINC42463923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.99 3.32 -41.05 3 3 1 40 241.399 3
Mid Mid (pH 6-8) 1.99 5.34 -29.96 3 3 1 40 241.399 3

Activity (Go SEA)

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