UCSF

ZINC41668541

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) 4.20 6.9 -11.02 0 6 0 55 454.954 5
Mid Mid (pH 6-8) 4.20 9.16 -50.23 1 6 1 56 455.962 5
Mid Mid (pH 6-8) 4.20 9.73 -56.33 1 6 1 56 455.962 5
Lo Low (pH 4.5-6) 4.20 12.01 -131.84 2 6 2 58 456.97 5

Activity (Go SEA)

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