UCSF

ZINC39301339

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 4.53 11.61 -12.42 3 7 0 92 475.35 7
Lo Low (pH 4.5-6) 4.53 12.07 -46.53 4 7 1 93 476.358 7

Activity (Go SEA)

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