UCSF

ZINC35816015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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 9.96 -16.21 1 7 0 75 430.508 5
Mid Mid (pH 6-8) 3.16 10.28 -44.97 2 7 1 76 431.516 5

Activity (Go SEA)

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