UCSF

ZINC27653222

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) -1.04 -0.08 -40.98 5 6 0 117 266.297 7
Hi High (pH 8-9.5) -1.04 -0.41 -47.06 4 6 -1 115 265.289 7

Activity (Go SEA)

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