UCSF

ZINC37817587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Other Names:

MFCD13211136

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) 1.92 5.64 -42.88 3 3 1 48 288.198 4
Hi High (pH 8-9.5) 1.92 5.1 -7.6 2 3 0 46 287.19 4

Activity (Go SEA)

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