UCSF

ZINC42781889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.37 5.58 -98.49 3 4 2 34 259.438 8
Hi High (pH 8-9.5) 1.37 4.02 -37.04 2 4 1 29 258.43 8
Hi High (pH 8-9.5) 1.37 2.93 -34.67 2 4 1 32 258.43 8

Activity (Go SEA)

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