UCSF

ZINC00874811

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 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) 3.89 10.24 -10.06 1 3 0 34 273.405 2
Mid Mid (pH 6-8) 4.62 10.08 -48.42 0 3 -1 31 272.397 2

Activity (Go SEA)

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