UCSF

ZINC19885411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 0.90 2.94 -53.59 3 5 1 72 226.252 6
Hi High (pH 8-9.5) 0.90 2.17 -48.08 1 5 -1 71 224.236 6
Mid Mid (pH 6-8) 0.90 1.54 -12.6 2 5 0 68 225.244 6

Activity (Go SEA)

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