UCSF

ZINC04065297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 33 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) 4.84 0.3 -10.15 0 6 0 74 447.531 8
Mid Mid (pH 6-8) 5.03 1.67 -11.95 0 6 0 74 447.531 8
Mid Mid (pH 6-8) 5.03 0.36 -11.06 0 6 0 74 447.531 8
Mid Mid (pH 6-8) 4.84 0.24 -13.75 0 6 0 74 447.531 8

Activity (Go SEA)

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