UCSF

ZINC31962606

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) -0.42 0.97 -54.83 5 6 1 93 267.353 8
Mid Mid (pH 6-8) -0.42 1.39 -86.35 6 6 2 94 268.361 8

Activity (Go SEA)

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