UCSF

ZINC44721519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 0.53 2.69 -35.43 3 5 1 55 256.37 7
Lo Low (pH 4.5-6) 0.53 3.86 -108.84 4 5 2 59 257.378 7
Lo Low (pH 4.5-6) 0.53 1.45 -40.58 3 5 1 58 256.37 7

Activity (Go SEA)

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