UCSF

ZINC22153709

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 2.81 6.07 -40.56 4 4 1 60 282.383 7
Hi High (pH 8-9.5) 2.81 4.09 -10.35 3 4 0 58 281.375 7

Activity (Go SEA)

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