UCSF

ZINC21985596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 Yes

Other Names:

MFCD07368199

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) 0.60 0.93 -38.09 4 2 1 48 188.197 3
Hi High (pH 8-9.5) 0.60 0.68 -6.13 3 2 0 46 187.189 3

Activity (Go SEA)

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