UCSF

ZINC37847178

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.73 3.68 -42.18 3 4 1 55 262.414 12
Hi High (pH 8-9.5) 1.73 2.26 -5.36 2 4 0 51 261.406 12

Activity (Go SEA)

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