UCSF

ZINC04059807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.67 0.08 -7.86 0 6 0 74 490.394 6
Mid Mid (pH 6-8) 5.86 -0.86 -8.98 0 6 0 74 490.394 6
Mid Mid (pH 6-8) 5.67 0.07 -10.89 0 6 0 74 490.394 6

Activity (Go SEA)

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