UCSF

ZINC37140460

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) 0.71 5.34 -104.41 5 4 2 64 289.423 4
Hi High (pH 8-9.5) 0.71 3.15 -41.72 4 4 1 63 288.415 4
Hi High (pH 8-9.5) 0.71 4.92 -40.6 4 4 1 60 288.415 4

Activity (Go SEA)

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