UCSF

ZINC44617243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) -1.02 5.65 -115.69 0 6 -2 96 236.227 4
Hi High (pH 8-9.5) -1.02 3.68 -89.13 1 6 0 98 237.235 4
Mid Mid (pH 6-8) -1.02 4.65 -53.97 1 6 -1 94 237.235 4

Activity (Go SEA)

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