UCSF

ZINC41665154

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.66 6.81 -13.23 0 6 0 61 381.428 6
Mid Mid (pH 6-8) 3.66 9.66 -46.42 1 6 1 62 382.436 6

Activity (Go SEA)

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