UCSF

ZINC20202208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 3.45 6.47 -33.29 2 2 1 20 215.405 8
Hi High (pH 8-9.5) 3.45 7.54 -31.37 2 2 1 16 215.405 8
Mid Mid (pH 6-8) 3.45 8.34 -109.02 3 2 2 21 216.413 8

Activity (Go SEA)

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