UCSF

ZINC39536438

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 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) 2.08 7.65 -15.15 1 7 0 70 387.459 5
Mid Mid (pH 6-8) 2.08 9.82 -58.33 2 7 1 72 388.467 5

Activity (Go SEA)

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