UCSF

ZINC34664683

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 17 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) 3.90 7.84 -42.32 2 2 1 26 248.733 4
Hi High (pH 8-9.5) 3.90 6.4 -3.86 1 2 0 21 247.725 4

Activity (Go SEA)

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