UCSF

ZINC23358507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 4.27 9.2 -36.05 2 2 1 16 307.424 7
Mid Mid (pH 6-8) 4.27 10.37 -119.54 3 2 2 21 308.432 7

Activity (Go SEA)

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