UCSF

ZINC26514197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 2.30 6.3 -33.85 2 3 1 37 215.361 7
Hi High (pH 8-9.5) 2.30 5.23 -6.16 1 3 0 32 214.353 7

Activity (Go SEA)

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