UCSF

ZINC34673819

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 19 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) -1.07 3.69 -54.53 3 6 1 92 267.353 6
Hi High (pH 8-9.5) -1.07 1.46 -19.57 2 6 0 90 266.345 6

Activity (Go SEA)

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