UCSF

ZINC29131899

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 15 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) 1.90 4.31 -14.9 1 4 0 60 206.197 1
Hi High (pH 8-9.5) 1.90 5.12 -46.75 0 4 -1 63 205.189 1

Activity (Go SEA)

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