UCSF

ZINC34684075

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.16 11.7 -90.62 3 5 2 41 422.617 8
Mid Mid (pH 6-8) 3.16 11.7 -93.12 3 5 2 41 422.617 8
Mid Mid (pH 6-8) 3.16 9.44 -43.93 2 5 1 40 421.609 8

Activity (Go SEA)

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