UCSF

ZINC38000791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) 0.95 -0.08 -43.94 4 4 1 63 216.349 7
Hi High (pH 8-9.5) 0.95 0.91 -6.04 3 4 0 58 215.341 7
Mid Mid (pH 6-8) 0.95 3.38 -41.73 4 4 1 60 216.349 7
Lo Low (pH 4.5-6) 0.95 2.41 -116.3 5 4 2 64 217.357 7

Activity (Go SEA)

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