UCSF

ZINC31913510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 3.45 5.79 -11.65 1 3 0 38 232.327 2
Mid Mid (pH 6-8) 3.45 6.2 -24.72 2 3 1 39 233.335 2

Activity (Go SEA)

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