UCSF

ZINC34475710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 30 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) 6.39 15.57 -12.84 0 4 0 44 398.506 8
Lo Low (pH 4.5-6) 6.39 15.83 -31.16 1 4 1 45 399.514 8

Activity (Go SEA)

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