UCSF

ZINC37052191

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) 0.98 7.33 -8.96 2 3 0 46 266.344 4
Mid Mid (pH 6-8) 0.99 7.63 -44.76 3 3 1 48 267.352 4

Activity (Go SEA)

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