UCSF

ZINC37081053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.30 8.37 -119.36 4 2 2 32 246.398 3
Hi High (pH 8-9.5) 2.30 8.1 -31.85 3 2 1 30 245.39 3
Hi High (pH 8-9.5) 2.30 6.38 -40.61 3 2 1 31 245.39 3

Activity (Go SEA)

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