UCSF

ZINC31978129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.50 4.81 -53.44 0 5 -1 62 278.328 6
Mid Mid (pH 6-8) 2.50 6.81 -80.48 1 5 0 63 279.336 6

Activity (Go SEA)

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