UCSF

ZINC23382661

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 27 No

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) 5.41 9.53 -12.27 1 7 0 100 383.429 5
Mid Mid (pH 6-8) 4.92 9.03 -35.92 0 7 -1 99 382.421 6

Activity (Go SEA)

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