UCSF

ZINC22240767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 27 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) 4.47 13.12 -50.17 1 4 1 31 358.465 6
Hi High (pH 8-9.5) 4.47 10.72 -13 0 4 0 30 357.457 6
Lo Low (pH 4.5-6) 4.47 13.54 -101.58 2 4 2 32 359.473 6

Activity (Go SEA)

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