UCSF

ZINC23398159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 21 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) 2.82 0.93 -104.27 0 6 -2 96 409.308 5
Mid Mid (pH 6-8) 2.82 0.87 -16.19 2 6 0 92 411.324 5

Activity (Go SEA)

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