UCSF

ZINC33446127

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 14 Yes

Other Names:

MFCD07643265

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) 0.58 3.32 -35.09 3 3 1 40 195.286 5
Mid Mid (pH 6-8) 0.58 1.38 -45.99 3 3 1 40 195.286 5
Lo Low (pH 4.5-6) 0.58 3.71 -117.51 4 3 2 41 196.294 5

Activity (Go SEA)

Rings

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