UCSF

ZINC33825666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 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) 4.90 11.82 -40.21 2 3 1 28 443.702 7
Mid Mid (pH 6-8) 4.90 9.55 -5.95 1 3 0 27 442.694 7
Mid Mid (pH 6-8) 4.90 11.04 -36.39 2 3 1 28 443.702 7

Activity (Go SEA)

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