UCSF

ZINC22161359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) -1.19 8.19 -64.4 2 7 0 107 291.307 4
Mid Mid (pH 6-8) -1.19 7.65 -55.04 1 7 -1 106 290.299 4
Mid Mid (pH 6-8) -1.19 8.31 -60.27 1 7 -1 106 290.299 4

Activity (Go SEA)

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