UCSF

ZINC12605623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 23 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) 2.93 2.11 -15.08 2 6 0 92 419.322 5
Hi High (pH 8-9.5) 2.93 2.21 -46.98 1 6 -1 94 418.314 5

Activity (Go SEA)

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