UCSF

ZINC34034356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.56 -1.32 -25.98 5 10 0 150 376.417 6
Mid Mid (pH 6-8) -1.56 -0.82 -51.95 6 10 1 152 377.425 6
Mid Mid (pH 6-8) -1.56 -0.14 -23.21 5 10 0 150 376.417 6

Activity (Go SEA)

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