UCSF

ZINC04149096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 3.32 6.68 -15.36 5 6 0 99 354.417 2
Mid Mid (pH 6-8) 3.32 7.08 -30.57 6 6 1 100 355.425 2
Mid Mid (pH 6-8) 3.32 7.11 -35.41 6 6 1 100 355.425 2
Mid Mid (pH 6-8) 3.32 7.07 -29.07 6 6 1 100 355.425 2
Lo Low (pH 4.5-6) 3.32 7.51 -75.17 7 6 2 101 356.433 2

Activity (Go SEA)

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