UCSF

ZINC31979949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.51 4.97 -25.2 2 7 0 93 412.393 6
Mid Mid (pH 6-8) 2.51 5.05 -57.64 1 7 -1 95 411.385 6

Activity (Go SEA)

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