UCSF

ZINC40582140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 19 No

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) -1.05 6.11 -50.64 1 6 0 68 287.385 2
Mid Mid (pH 6-8) -1.05 3.95 -43.95 0 6 -1 67 286.377 2

Activity (Go SEA)

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