UCSF

ZINC27712373

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 24 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) 3.06 6.27 -43.06 3 4 1 55 328.432 6
Hi High (pH 8-9.5) 3.06 5 -8.13 2 4 0 51 327.424 6

Activity (Go SEA)

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