UCSF

ZINC34939734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.09 3.44 -31.9 3 4 1 46 242.387 5
Lo Low (pH 4.5-6) 1.09 4.74 -110.21 4 4 2 50 243.395 5
Lo Low (pH 4.5-6) 1.09 2.84 -39.07 3 4 1 49 242.387 5

Activity (Go SEA)

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