UCSF

ZINC34513880

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) 2.96 5.61 -4.65 1 2 0 23 207.317 7
Lo Low (pH 4.5-6) 2.96 6.05 -20.28 2 2 0 25 208.325 7

Activity (Go SEA)

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