UCSF

ZINC37140556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 0.97 5.66 -117.69 5 4 2 64 295.402 6
Hi High (pH 8-9.5) 0.97 4.75 -42.7 4 4 1 60 294.394 6
Hi High (pH 8-9.5) 0.97 3.47 -47.29 4 4 1 63 294.394 6

Activity (Go SEA)

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