UCSF

ZINC50049057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 1.15 5.21 -15.05 1 6 0 75 287.319 4
Lo Low (pH 4.5-6) 1.15 7.04 -46.48 2 6 1 76 288.327 4

Activity (Go SEA)

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