UCSF

ZINC07998095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 19 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) 1.22 2.99 -46.44 3 5 1 72 266.317 5
Hi High (pH 8-9.5) 1.22 1.64 -10.29 2 5 0 68 265.309 5

Activity (Go SEA)

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