UCSF

ZINC34824999

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 18 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) 1.90 7.67 -36.42 2 4 1 38 251.398 6
Mid Mid (pH 6-8) 1.90 7.8 -89.91 3 4 2 39 252.406 6

Activity (Go SEA)

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