UCSF

ZINC19933115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 2.29 3.48 -53.74 3 3 1 44 260.386 2
Hi High (pH 8-9.5) 2.29 3.09 -6.62 2 3 0 42 259.378 2

Activity (Go SEA)

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