UCSF

ZINC08659826

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2007 32 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) -1.20 10.81 -27.98 3 8 1 106 429.504 4
Lo Low (pH 4.5-6) -1.20 11.25 -74.81 4 8 2 108 430.512 4

Activity (Go SEA)

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