UCSF

ZINC34855790

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 4.14 9.15 -11.22 1 5 0 51 428.548 8
Mid Mid (pH 6-8) 4.14 12.13 -38.07 2 5 1 52 429.556 8

Activity (Go SEA)

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