UCSF

ZINC36191538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.08 4.72 -77.73 1 6 0 82 278.374 6
Hi High (pH 8-9.5) -0.08 2.08 -51.85 0 6 -1 81 277.366 6

Activity (Go SEA)

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