UCSF

ZINC45697064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.77 5.03 -43.45 1 4 0 48 202.298 8
Mid Mid (pH 6-8) 0.77 7.48 -96.81 2 4 1 49 203.306 8

Activity (Go SEA)

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