UCSF

ZINC34975798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 4.16 6.94 -6.01 3 3 0 55 284.19 3
Mid Mid (pH 6-8) 4.16 7.06 -26.47 4 3 1 56 285.198 3

Activity (Go SEA)

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