UCSF

ZINC15634545

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 23 No

Other Names:

MFCD00393959

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) 3.62 4.31 -20.07 3 6 0 95 309.325 2
Ref Reference (pH 7) 3.62 4.48 -14.1 3 6 0 95 309.325 2
Hi High (pH 8-9.5) 4.08 2.72 -51.27 2 6 -1 98 308.317 2
Hi High (pH 8-9.5) 4.08 2.64 -58.49 2 6 -1 98 308.317 2
Hi High (pH 8-9.5) 3.62 5.48 -60.41 2 6 -1 97 308.317 2
Hi High (pH 8-9.5) 4.08 2.42 -62.63 2 6 -1 98 308.317 2
Hi High (pH 8-9.5) 3.62 5.31 -65.5 2 6 -1 97 308.317 2

Activity (Go SEA)

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