UCSF

ZINC31962748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -1.18 0.96 -61.98 4 7 1 93 292.363 4
Mid Mid (pH 6-8) -1.18 1.26 -109.13 5 7 2 94 293.371 4

Activity (Go SEA)

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