UCSF

ZINC43994280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.13 11.44 -100.56 3 3 2 36 287.451 7
Hi High (pH 8-9.5) 3.13 10.96 -43.05 2 3 1 34 286.443 7

Activity (Go SEA)

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