UCSF

ZINC33620191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 38 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) 9.04 19.48 -25.68 2 5 1 57 512.718 11
Mid Mid (pH 6-8) 9.04 19.18 -19.94 1 5 0 56 511.71 11
Mid Mid (pH 6-8) 9.04 19.73 -46.93 2 5 1 60 512.718 11
Lo Low (pH 4.5-6) 9.04 20.02 -93.67 3 5 2 61 513.726 11

Activity (Go SEA)

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