UCSF

ZINC45693483

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.84 8.36 -35.42 2 2 1 20 326.302 6
Mid Mid (pH 6-8) 3.84 10.17 -34.54 2 2 1 16 326.302 6
Lo Low (pH 4.5-6) 3.84 9.06 -115.99 3 2 2 21 327.31 6

Activity (Go SEA)

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