UCSF

ZINC22959698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 2.62 7.19 -62.2 1 8 -1 117 383.409 5
Mid Mid (pH 6-8) 2.62 7.26 -113.28 0 8 -2 119 382.401 5

Activity (Go SEA)

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