UCSF

ZINC08655649

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2007 30 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) 4.09 -3.65 -11.5 1 5 0 63 409.518 4
Lo Low (pH 4.5-6) 4.09 -3.53 -41.84 2 5 1 64 410.526 4

Activity (Go SEA)

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