UCSF

ZINC34628746

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 No

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) 2.63 4.93 -40.73 0 4 -1 56 285.71 2
Mid Mid (pH 6-8) 3.00 7.16 -7.56 1 4 0 49 286.718 2

Activity (Go SEA)

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