UCSF

ZINC41666480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 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) 3.68 9.67 -13.22 0 6 0 69 373.449 7
Mid Mid (pH 6-8) 3.68 12.21 -46.08 1 6 1 70 374.457 7

Activity (Go SEA)

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