UCSF

ZINC20418774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.46 4.82 -34.98 2 3 1 26 209.313 7
Hi High (pH 8-9.5) 1.46 2.36 -4.58 1 3 0 24 208.305 7
Mid Mid (pH 6-8) 1.46 3.81 -39.99 2 3 1 29 209.313 7

Activity (Go SEA)

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