UCSF

ZINC40503728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 17 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) 0.11 0.8 -46.28 3 6 1 79 259.355 4
Hi High (pH 8-9.5) 0.11 0.76 -39.83 2 6 0 81 258.347 4
Hi High (pH 8-9.5) 0.11 -1.43 -10.41 2 6 0 78 258.347 4

Activity (Go SEA)

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