UCSF

ZINC36159792

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 1.66 7 -52.25 3 6 1 80 376.502 9
Hi High (pH 8-9.5) 2.12 4.2 -49.94 2 6 0 83 375.494 9
Hi High (pH 8-9.5) 1.66 4.89 -14.05 2 6 0 78 375.494 9

Activity (Go SEA)

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