UCSF

ZINC59545305

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 6.22 11.59 -46.38 1 3 -1 60 305.438 13
Lo Low (pH 4.5-6) 6.22 9.62 -8.3 2 3 0 58 306.446 13

Activity (Go SEA)

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