UCSF

ZINC36989460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.25 4.93 -7.75 2 4 0 54 238.294 3
Lo Low (pH 4.5-6) 2.25 5.11 -39.71 3 4 1 55 239.302 3

Activity (Go SEA)

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