UCSF

ZINC38581901

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 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) 1.74 9.2 -34.4 1 7 1 79 286.315 3
Mid Mid (pH 6-8) 1.74 8.9 -11.75 0 7 0 78 285.307 3

Activity (Go SEA)

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