UCSF

ZINC04291274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 11 No

Other Names:

MFCD06740573

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) 0.47 5.86 -10.84 1 3 0 34 169.253 2
Mid Mid (pH 6-8) 1.20 5.76 -45.3 0 3 -1 31 168.245 2

Activity (Go SEA)

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