UCSF

ZINC17201294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 22 No

Other Names:

MFCD02943306

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) 5.44 9.49 -7.49 1 3 0 45 308.406 2
Ref Reference (pH 7) 5.44 9.76 -7.66 1 3 0 45 308.406 2
Mid Mid (pH 6-8) 4.95 9.72 -41.8 0 3 -1 44 307.398 3
Lo Low (pH 4.5-6) 4.95 10.08 -13.13 1 3 0 42 308.406 3

Activity (Go SEA)

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