UCSF

ZINC34582004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 4.04 7.14 -50.86 0 4 -1 53 286.314 2
Lo Low (pH 4.5-6) 4.04 6.42 -9.84 1 4 0 50 287.322 2

Activity (Go SEA)

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