UCSF

ZINC01797130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 Yes

Other Names:

MFCD04065513

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) 4.50 1.07 -15.08 1 4 0 46 307.397 5
Mid Mid (pH 6-8) 4.50 1.33 -31.73 2 4 1 47 308.405 5

Activity (Go SEA)

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