UCSF

ZINC29193990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 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) 3.13 8.65 -22.66 1 7 0 86 392.387 6
Hi High (pH 8-9.5) 3.20 7.73 -44.75 0 7 -1 92 391.379 6

Activity (Go SEA)

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