UCSF

ZINC53138009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.31 8.43 -45.35 3 1 1 28 262.323 3
Mid Mid (pH 6-8) 2.31 8.13 -3.56 2 1 0 26 261.315 3

Activity (Go SEA)

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