UCSF

ZINC09058913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 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) 0.61 -0.32 -13.74 2 7 0 93 262.221 2
Mid Mid (pH 6-8) 1.07 -2.11 -47.01 1 7 -1 97 261.213 2

Activity (Go SEA)

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