UCSF

ZINC37851247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.48 -0.68 -47.76 4 5 1 76 256.322 9
Hi High (pH 8-9.5) 0.48 -2.08 -9.06 3 5 0 71 255.314 9

Activity (Go SEA)

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