UCSF

ZINC10112598

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 29 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) 2.68 -2.4 -18.25 1 7 0 92 416.499 6
Hi High (pH 8-9.5) 2.68 -1.94 -46.15 0 7 -1 94 415.491 6

Activity (Go SEA)

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