UCSF

ZINC19911936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 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) 0.02 4.64 -76.86 3 6 1 73 359.475 5
Mid Mid (pH 6-8) 0.02 6.97 -163.81 4 6 2 74 360.483 5
Mid Mid (pH 6-8) 0.02 5.44 -20.22 2 6 0 72 358.467 5

Activity (Go SEA)

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