UCSF

ZINC19993960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 1.83 4.16 -37.98 4 5 1 63 311.837 4
Hi High (pH 8-9.5) 1.83 1.84 -14.31 3 5 0 62 310.829 4

Activity (Go SEA)

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