UCSF

ZINC37319677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 3.22 11.16 -122.98 3 2 2 21 326.937 4
Hi High (pH 8-9.5) 3.22 9.31 -37.72 2 2 1 20 325.929 4
Mid Mid (pH 6-8) 3.22 10.04 -35.1 2 2 1 16 325.929 4

Activity (Go SEA)

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