UCSF

ZINC22023273

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 1.54 7.95 -40.19 1 3 1 26 233.335 1
Hi High (pH 8-9.5) 1.54 5.74 -11.93 0 3 0 25 232.327 1

Activity (Go SEA)

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