UCSF

ZINC22465074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 23 Yes

Other Names:

MFCD08444043

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) 2.48 7.2 -46.19 2 4 1 37 311.384 3
Hi High (pH 8-9.5) 2.48 5.79 -9.47 1 4 0 33 310.376 3
Lo Low (pH 4.5-6) 2.48 7.6 -85.47 3 4 2 38 312.392 3

Activity (Go SEA)

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