UCSF

ZINC37141007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 2.32 7.4 -31.69 2 3 1 30 249.378 4
Mid Mid (pH 6-8) 2.32 6.21 -35.73 2 3 1 33 249.378 4
Lo Low (pH 4.5-6) 2.32 8.41 -98.66 3 3 2 34 250.386 4

Activity (Go SEA)

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