UCSF

ZINC20420592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 1.00 6.09 -49.69 2 4 1 57 226.344 7
Hi High (pH 8-9.5) 1.00 3.83 -12.1 1 4 0 56 225.336 7

Activity (Go SEA)

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