UCSF

ZINC31529657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 32 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) 2.40 6.63 -24.96 2 7 0 96 455.511 7
Mid Mid (pH 6-8) 2.40 6.7 -52.73 1 7 -1 98 454.503 7

Activity (Go SEA)

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