UCSF

ZINC21785076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 34 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) 2.63 5.22 -55.95 3 9 -1 140 483.501 8
Mid Mid (pH 6-8) 2.17 6.34 -26.71 4 9 0 136 484.509 8

Activity (Go SEA)

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