UCSF

ZINC43284900

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 20 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) 0.33 3.68 -49.78 2 5 -1 93 272.211 1
Mid Mid (pH 6-8) 0.33 3.76 -47.53 2 5 -1 93 272.211 1
Mid Mid (pH 6-8) 0.33 6.95 -111.4 1 5 -2 96 271.203 1

Activity (Go SEA)

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