UCSF

ZINC08440104

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 40 No

Other Names:

MFCD03696143

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) 6.27 0.73 -15.18 1 6 0 76 533.624 11
Mid Mid (pH 6-8) 5.68 0.58 -21.25 0 6 0 72 533.624 11

Activity (Go SEA)

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