UCSF

ZINC22935915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 3.15 9.72 -45.06 3 3 0 21 291.483 8
Hi High (pH 8-9.5) 3.15 9.08 -35.57 2 3 1 23 290.475 8
Mid Mid (pH 6-8) 3.15 9.6 -28.12 2 3 1 20 290.475 8

Activity (Go SEA)

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