UCSF

ZINC60699253

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 3.73 8.06 -49.73 2 1 1 17 272.315 4
Mid Mid (pH 6-8) 3.73 6.98 -4.79 1 1 0 12 271.307 4

Activity (Go SEA)

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