UCSF

ZINC28827095

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 37 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) 6.63 17.79 -56.12 2 5 1 44 513.559 9
Hi High (pH 8-9.5) 6.63 15.54 -12.13 1 5 0 42 512.551 9

Activity (Go SEA)

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