UCSF

ZINC34625977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 5.25 9.25 -8.29 2 3 0 44 325.452 3
Lo Low (pH 4.5-6) 5.25 9.12 -48.14 3 3 1 46 326.46 3

Activity (Go SEA)

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