UCSF

ZINC44723159

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) 0.03 2.29 -36.29 3 5 1 55 256.37 7
Lo Low (pH 4.5-6) 0.03 3.38 -101.87 4 5 2 59 257.378 7
Lo Low (pH 4.5-6) 0.03 1.04 -37.75 3 5 1 58 256.37 7

Activity (Go SEA)

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