UCSF

ZINC04823201

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 27 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) 2.28 10.5 -36.43 1 4 1 45 356.449 3
Ref Reference (pH 7) 2.28 11.74 -37.69 1 4 1 45 356.449 3
Hi High (pH 8-9.5) 2.28 11.28 -58.17 0 4 0 48 355.441 3
Mid Mid (pH 6-8) 2.28 12.53 -57 0 4 0 48 355.441 3

Activity (Go SEA)

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