UCSF

ZINC44049472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 16 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) 4.00 7.42 -35.31 2 2 1 26 222.352 6
Hi High (pH 8-9.5) 4.00 6.2 -2.39 1 2 0 21 221.344 6

Activity (Go SEA)

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