UCSF

ZINC36139320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 0.92 1.79 -10.65 1 6 0 70 341.458 3
Mid Mid (pH 6-8) 0.92 4.03 -49.07 2 6 1 71 342.466 3

Activity (Go SEA)

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