UCSF

ZINC19412619

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 0.11 2.18 -37.98 2 4 1 40 212.317 2
Hi High (pH 8-9.5) 0.11 0.8 -6.39 1 4 0 36 211.309 2
Mid Mid (pH 6-8) 0.11 4.43 -92.98 3 4 2 41 213.325 2

Activity (Go SEA)

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