UCSF

ZINC31493994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 30 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) 4.48 11.88 -9.95 0 5 0 49 475.475 4
Mid Mid (pH 6-8) 4.48 12.24 -35.99 1 5 1 51 476.483 4

Activity (Go SEA)

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