UCSF

ZINC41663463

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.80 11.9 -19.72 0 8 0 91 511.53 6
Mid Mid (pH 6-8) 4.80 14.77 -58.49 1 8 1 93 512.538 6

Activity (Go SEA)

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