UCSF

ZINC41663563

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 5.26 11.18 -14.12 0 6 0 73 429.472 2
Mid Mid (pH 6-8) 5.26 14.17 -44.93 1 6 1 74 430.48 2

Activity (Go SEA)

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