UCSF

ZINC52815133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) 2.87 9.42 -39.2 1 3 1 31 268.402 6
Mid Mid (pH 6-8) 2.87 7.91 -5.67 0 3 0 30 267.394 6

Activity (Go SEA)

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