UCSF

ZINC19905341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 Yes

Other Names:

MFCD13565709

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) 2.77 3.44 -12.19 2 5 0 60 289.331 6
Hi High (pH 8-9.5) 2.77 4.22 -44.01 1 5 -1 63 288.323 6

Activity (Go SEA)

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