UCSF

ZINC37803291

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.25 4.26 -38.98 3 4 1 57 271.406 8
Hi High (pH 8-9.5) 1.25 3.97 -5.34 2 4 0 56 270.398 8

Activity (Go SEA)

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