UCSF

ZINC05911704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 2.93 7.91 -56.04 0 5 -1 53 272.309 3
Mid Mid (pH 6-8) 2.20 7.78 -14.62 1 5 0 56 273.317 3

Activity (Go SEA)

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