UCSF

ZINC37790746

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -1.58 1.83 -33.49 2 7 0 93 238.247 5
Hi High (pH 8-9.5) -0.84 0.74 -67.46 2 7 -1 99 237.239 4

Activity (Go SEA)

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