UCSF

ZINC11592796

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2008 33 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) 4.45 -0.83 -58.62 2 6 -1 103 458.55 11
Lo Low (pH 4.5-6) 4.45 -0.59 -59.11 3 6 0 104 459.558 11

Activity (Go SEA)

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