UCSF

ZINC06042777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 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) 3.12 8.28 -42.6 1 3 1 25 241.399 6
Mid Mid (pH 6-8) 3.12 6.05 -6.54 0 3 0 24 240.391 6

Activity (Go SEA)

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