UCSF

ZINC04375753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 23 No

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) 3.92 7.5 -5.54 2 3 0 45 308.425 4
Mid Mid (pH 6-8) 3.92 8.72 -40.8 3 3 1 49 309.433 4
Mid Mid (pH 6-8) 3.92 8.73 -41.49 3 3 1 49 309.433 4

Activity (Go SEA)

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