UCSF

ZINC53129516

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) 1.24 3.72 -49.04 3 5 1 79 261.349 8
Lo Low (pH 4.5-6) 1.24 4.18 -87.92 4 5 2 81 262.357 8

Activity (Go SEA)

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