UCSF

ZINC39917558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.31 11.55 -40.48 1 4 1 26 401.937 6
Hi High (pH 8-9.5) 4.31 9.18 -9.74 0 4 0 24 400.929 6
Mid Mid (pH 6-8) 4.31 11.44 -41.66 1 4 1 26 401.937 6
Lo Low (pH 4.5-6) 4.31 11.64 -74.38 2 4 2 27 402.945 6

Activity (Go SEA)

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