UCSF

ZINC36984524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 2.02 6.68 -43.26 3 1 1 28 218.345 2
Hi High (pH 8-9.5) 2.02 6.36 -3.86 2 1 0 26 217.337 2

Activity (Go SEA)

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