UCSF

ZINC31977401

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) 1.07 2.52 -57.39 2 5 -1 89 266.317 7
Mid Mid (pH 6-8) 1.07 1.39 -17.36 3 5 0 87 267.325 7

Activity (Go SEA)

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