UCSF

ZINC61820731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 19 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) 3.06 9.7 -39.8 1 3 1 31 262.373 4
Mid Mid (pH 6-8) 3.06 7.53 -9.6 0 3 0 30 261.365 4

Activity (Go SEA)

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