UCSF

ZINC21812100

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.58 3.88 -11.18 3 3 0 52 326.223 5
Lo Low (pH 4.5-6) 4.58 5.02 -45 4 3 1 57 327.231 5

Activity (Go SEA)

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