UCSF

ZINC44825920

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 Yes

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) 1.94 5.66 -20.71 1 4 0 66 235.312 2
Hi High (pH 8-9.5) 2.13 4.36 -44.22 0 4 -1 72 234.304 2

Activity (Go SEA)

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