UCSF

ZINC44633114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 22 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) 3.01 9.54 -10.55 1 4 0 45 301.434 6
Lo Low (pH 4.5-6) 3.01 10.01 -36.22 2 4 1 46 302.442 6

Activity (Go SEA)

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