UCSF

ZINC34824112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 1.23 6.12 -39.03 2 4 1 38 223.344 3
Hi High (pH 8-9.5) 1.23 4.67 -4.54 1 4 0 33 222.336 3

Activity (Go SEA)

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