UCSF

ZINC35651592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -1.34 1.5 -75.7 2 8 0 109 276.318 7
Hi High (pH 8-9.5) -1.34 1.15 -86.79 1 8 -1 111 275.31 7
Hi High (pH 8-9.5) -1.34 -0.96 -51.59 1 8 -1 107 275.31 7

Activity (Go SEA)

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