UCSF

ZINC29923373

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 1.03 3.01 -9.29 1 6 0 75 273.292 1
Hi High (pH 8-9.5) 1.49 2.2 -39.76 0 6 -1 78 272.284 1

Activity (Go SEA)

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