UCSF

ZINC42576314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.85 0.74 -10.15 2 5 0 79 278.399 5
Mid Mid (pH 6-8) 2.31 -1.85 -42.99 1 5 -1 82 277.391 5

Activity (Go SEA)

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