UCSF

ZINC37052516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -1.18 0.06 -7.75 3 4 0 67 271.114 2
Mid Mid (pH 6-8) -1.18 0.38 -48.18 4 4 1 68 272.122 2

Activity (Go SEA)

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