UCSF

ZINC38570085

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 26 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) 3.83 8.95 -37.39 2 4 1 47 359.534 7
Mid Mid (pH 6-8) 3.83 7.01 -6.69 1 4 0 46 358.526 7
Lo Low (pH 4.5-6) 3.83 9.47 -102.32 3 4 2 48 360.542 7

Activity (Go SEA)

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