UCSF

ZINC34665759

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 4.79 9.43 -30.18 2 2 1 26 274.359 5
Hi High (pH 8-9.5) 4.79 8.25 -4.04 1 2 0 21 273.351 5

Activity (Go SEA)

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