UCSF

ZINC34589878

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 1.80 6.66 -31.18 2 3 0 57 193.246 5
Hi High (pH 8-9.5) 1.80 5.58 -46.08 1 3 -1 52 192.238 5

Activity (Go SEA)

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