UCSF

ZINC09007692

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 34 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) 4.02 0.31 -24.44 1 7 0 108 493.61 10
Mid Mid (pH 6-8) 4.58 -0.09 -22.95 1 7 0 108 493.61 10
Mid Mid (pH 6-8) 4.58 1.47 -25 1 7 0 108 493.61 10
Mid Mid (pH 6-8) 4.40 -0.19 -20.86 1 7 0 108 493.61 10

Activity (Go SEA)

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