UCSF

ZINC00947716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 28 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) 2.59 0.13 -69.75 0 7 -1 105 384.408 7
Mid Mid (pH 6-8) 2.59 0.02 -72.27 0 7 -1 105 384.408 7
Mid Mid (pH 6-8) 2.77 -1.02 -66.97 0 7 -1 105 384.408 7

Activity (Go SEA)

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