UCSF

ZINC35993569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 36 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) 6.40 14.28 -91.58 4 6 2 70 498.708 15
Hi High (pH 8-9.5) 6.40 13.05 -44.93 3 6 1 66 497.7 15

Activity (Go SEA)

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