UCSF

ZINC44197173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) -0.26 5.2 -34.72 3 3 0 68 193.246 3
Hi High (pH 8-9.5) -0.26 4.95 -46.87 2 3 -1 66 192.238 3

Activity (Go SEA)

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