UCSF

ZINC40434522

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 27 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) 4.50 7.4 -12.6 2 5 0 76 364.397 7
Hi High (pH 8-9.5) 4.50 8.17 -48.44 1 5 -1 79 363.389 7

Activity (Go SEA)

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