UCSF

ZINC38003589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 No

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) 1.31 2.11 -49.08 4 4 1 66 277.266 6
Hi High (pH 8-9.5) 1.31 0.69 -7.21 3 4 0 61 276.258 6

Activity (Go SEA)

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