UCSF

ZINC04901600

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 2.23 3.22 -60.02 1 7 -1 97 368.365 6
Mid Mid (pH 6-8) 2.68 -2.23 -27.98 2 7 0 94 369.373 5
Mid Mid (pH 6-8) 1.65 -1.97 -20.32 1 7 0 90 369.373 6

Activity (Go SEA)

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