UCSF

ZINC19671503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 3.37 7.5 -49.16 3 2 1 37 260.332 4
Hi High (pH 8-9.5) 3.37 7.2 -3.58 2 2 0 35 259.324 4

Activity (Go SEA)

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