UCSF

ZINC37142206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 0.89 5.77 -45.11 2 5 1 59 312.459 5
Hi High (pH 8-9.5) 0.89 4.84 -12.46 1 5 0 54 311.451 5

Activity (Go SEA)

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