UCSF

ZINC33935430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 23 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) 3.06 8.33 -24.77 3 4 0 52 312.437 7
Mid Mid (pH 6-8) 3.06 8.22 -9.2 2 4 0 51 311.429 7

Activity (Go SEA)

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