UCSF

ZINC37052057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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 4.71 -13.04 2 4 0 70 229.283 3
Mid Mid (pH 6-8) -1.18 5.01 -51.54 3 4 1 72 230.291 3

Activity (Go SEA)

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