UCSF

ZINC44625202

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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 6.24 -63.93 3 5 0 88 264.325 6
Hi High (pH 8-9.5) -2.30 5.83 -47.89 2 5 -1 86 263.317 6

Activity (Go SEA)

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