UCSF

ZINC27741002

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 15 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 1.9 -73.48 4 5 0 97 216.281 7
Hi High (pH 8-9.5) -1.07 1.6 -53.11 3 5 -1 95 215.273 7

Activity (Go SEA)

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