UCSF

ZINC45663855

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.55 7.31 -97.45 3 4 2 39 252.406 6
Hi High (pH 8-9.5) 0.55 5.93 -36.25 2 4 1 34 251.398 6

Activity (Go SEA)

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