UCSF

ZINC40748705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 1.03 3.3 -33.1 3 4 1 49 257.398 8
Mid Mid (pH 6-8) 1.03 3.34 -95.18 4 4 2 51 258.406 8

Activity (Go SEA)

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