UCSF

ZINC37833010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 0.58 7.27 -43.49 1 5 1 45 349.293 4
Hi High (pH 8-9.5) 0.58 5.65 -10.82 0 5 0 44 348.285 4

Activity (Go SEA)

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