UCSF

ZINC37851037

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) 0.57 1.79 -43.32 3 5 1 65 264.386 14
Hi High (pH 8-9.5) 0.57 0.39 -7.69 2 5 0 60 263.378 14

Activity (Go SEA)

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