UCSF

ZINC29351737

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 20 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) 2.75 7.04 -12.97 2 4 0 58 283.356 3
Hi High (pH 8-9.5) 2.82 6.15 -46.92 1 4 -1 64 282.348 3

Activity (Go SEA)

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