UCSF

ZINC34821685

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 21 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) 0.82 -2.95 -43.58 6 6 1 106 303.423 9
Mid Mid (pH 6-8) 0.82 -4.57 -11.75 5 6 0 102 302.415 9

Activity (Go SEA)

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