UCSF

ZINC21786809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 5.13 8.1 -35.93 3 2 1 29 330.323 3
Mid Mid (pH 6-8) 5.13 8.21 -44.61 3 2 1 29 330.323 3
Mid Mid (pH 6-8) 5.13 9.24 -110.63 4 2 2 33 331.331 3

Activity (Go SEA)

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