UCSF

ZINC26379442

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 19 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) 2.94 7.8 -34.29 1 2 1 14 282.232 3
Hi High (pH 8-9.5) 2.94 5.28 -2.26 0 2 0 12 281.224 3

Activity (Go SEA)

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