UCSF

ZINC45113861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 1.66 4.64 -65.39 4 5 0 83 237.303 5
Hi High (pH 8-9.5) 1.66 2.31 -48.9 3 5 -1 81 236.295 5
Lo Low (pH 4.5-6) 1.66 4.46 -71.28 5 5 1 84 238.311 5

Activity (Go SEA)

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