UCSF

ZINC33446125

Substance Information

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

Other Names:

MFCD07643267

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) 0.55 3.81 -111.27 4 3 2 41 196.294 5
Mid Mid (pH 6-8) 0.55 1.48 -44.01 3 3 1 40 195.286 5

Activity (Go SEA)

Rings

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