UCSF

ZINC31256579

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 2.25 4.55 -15.29 2 5 0 75 272.304 2
Mid Mid (pH 6-8) 2.70 2.81 -57.21 1 5 -1 78 271.296 2

Activity (Go SEA)

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