UCSF

ZINC37088014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.67 6.17 -27.38 3 5 0 86 302.355 5
Mid Mid (pH 6-8) 1.67 4.83 -53.09 2 5 -1 81 301.347 5

Activity (Go SEA)

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