UCSF

ZINC41679965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.11 2.37 -48.95 4 5 1 83 231.316 8
Hi High (pH 8-9.5) 0.11 2.05 -12.75 3 5 0 81 230.308 8

Activity (Go SEA)

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