UCSF

ZINC29044927

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 25 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) 3.45 3.08 -15.63 2 6 0 92 382.507 6
Mid Mid (pH 6-8) 3.45 3.15 -46.28 1 6 -1 94 381.499 6

Activity (Go SEA)

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