UCSF

ZINC37003827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.34 3.16 -43.04 4 5 1 77 258.386 7
Hi High (pH 8-9.5) 0.34 2.88 -6.63 3 5 0 75 257.378 7

Activity (Go SEA)

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