UCSF

ZINC08695861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 36 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) 1.44 -1.11 -26.21 1 10 0 119 486.484 7
Lo Low (pH 4.5-6) 1.44 -0.99 -57.84 2 10 1 121 487.492 7

Activity (Go SEA)

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