UCSF

ZINC19838902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.24 4.93 -11.25 1 3 0 41 221.3 5
Hi High (pH 8-9.5) 2.24 5.71 -44.98 0 3 -1 43 220.292 5

Activity (Go SEA)

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