UCSF

ZINC43437434

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 5.45 8.92 -114.14 4 2 2 33 268.489 5
Hi High (pH 8-9.5) 5.45 7.65 -31.14 3 2 1 29 267.481 5

Activity (Go SEA)

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