UCSF

ZINC12613651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 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) 4.20 9.86 -48.51 2 6 1 59 405.522 5
Mid Mid (pH 6-8) 4.20 7.4 -15.72 1 6 0 58 404.514 5

Activity (Go SEA)

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