UCSF

ZINC39952036

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 1.30 2.31 -41.5 3 5 1 55 256.37 5
Lo Low (pH 4.5-6) 1.30 3.72 -114.27 4 5 2 59 257.378 5
Lo Low (pH 4.5-6) 1.30 0.85 -40.47 3 5 1 58 256.37 5

Activity (Go SEA)

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