UCSF

ZINC20389889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 24 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) 4.21 11 -35.48 1 3 1 17 325.476 7
Hi High (pH 8-9.5) 4.21 8.69 -4.54 0 3 0 16 324.468 7
Mid Mid (pH 6-8) 4.21 11.06 -39.2 1 3 1 17 325.476 7

Activity (Go SEA)

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