UCSF

ZINC21981240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 28 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) 4.50 10.3 -24.4 1 5 0 67 398.89 2
Hi High (pH 8-9.5) 4.50 9.95 -45.82 0 5 -1 65 397.882 2
Lo Low (pH 4.5-6) 4.50 9.44 -42.42 2 5 1 64 399.898 2

Activity (Go SEA)

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