UCSF

ZINC06419819

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 No

Download: MOL2 SDF SMILES Flexibase

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) 3.97 10.29 -41.13 0 6 -1 83 416.453 8
Mid Mid (pH 6-8) 3.97 1.13 -11.92 1 6 0 79 417.461 8
Mid Mid (pH 6-8) 3.38 1 -20.73 0 6 0 76 417.461 8

Activity (Go SEA)

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