UCSF

ZINC45650498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.79 5.83 -37.81 2 5 1 46 284.424 5
Lo Low (pH 4.5-6) 1.79 6.95 -121.08 3 5 2 51 285.432 5
Lo Low (pH 4.5-6) 1.79 4.61 -47.28 2 5 1 49 284.424 5

Activity (Go SEA)

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