UCSF

ZINC04065183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 37 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) 6.96 1.65 -10.02 0 6 0 74 503.639 11
Mid Mid (pH 6-8) 7.14 0.5 -10.84 0 6 0 74 503.639 11
Mid Mid (pH 6-8) 6.96 1.56 -12.76 0 6 0 74 503.639 11

Activity (Go SEA)

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