UCSF

ZINC37052330

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -1.17 4.07 -14.86 2 5 0 67 279.315 3
Mid Mid (pH 6-8) -1.17 4.38 -50.15 3 5 1 68 280.323 3

Activity (Go SEA)

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