UCSF

ZINC13567331

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 Yes

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) 3.94 7.84 -44.64 1 7 -1 96 446.508 7
Lo Low (pH 4.5-6) 3.48 9.24 -20.63 2 7 0 93 447.516 7
Lo Low (pH 4.5-6) 3.48 9.77 -14.65 2 7 0 93 447.516 7

Activity (Go SEA)

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