UCSF

ZINC39750461

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 36 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) 3.89 11.61 -12.59 0 8 0 73 509.676 11
Mid Mid (pH 6-8) 3.89 13.84 -51.05 1 8 1 74 510.684 11

Activity (Go SEA)

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