UCSF

ZINC20928124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 19 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) 2.11 8.46 -59.12 2 4 1 44 280.779 7
Hi High (pH 8-9.5) 2.11 7.1 -10.8 1 4 0 39 279.771 7
Mid Mid (pH 6-8) 2.11 8.94 -106.25 3 4 2 45 281.787 7

Activity (Go SEA)

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