UCSF

ZINC61306358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.36 6.69 -53.7 4 7 1 97 395.568 9
Mid Mid (pH 6-8) 2.36 4.52 -21.2 3 7 0 96 394.56 9

Activity (Go SEA)

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