UCSF

ZINC31945590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 2.00 6.77 -65.39 1 4 0 57 268.382 3
Mid Mid (pH 6-8) 2.00 4.57 -48.3 0 4 -1 56 267.374 3

Activity (Go SEA)

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