UCSF

ZINC41584331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

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) 4.03 8.45 -10.94 1 6 0 72 423.509 10
Hi High (pH 8-9.5) 4.03 7.72 -50.01 0 6 -1 75 422.501 10
Mid Mid (pH 6-8) 4.03 9.94 -35.01 1 6 0 76 423.509 10
Mid Mid (pH 6-8) 4.03 9.19 -40.23 2 6 1 73 424.517 10

Activity (Go SEA)

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