UCSF

ZINC37808864

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.93 5.91 -45.31 3 3 1 48 312.231 5
Hi High (pH 8-9.5) 1.93 5.58 -7.39 2 3 0 46 311.223 5

Activity (Go SEA)

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