UCSF

ZINC37063031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.43 2.66 -43.43 4 5 1 77 334.824 3
Hi High (pH 8-9.5) 1.43 2.44 -40.34 3 5 0 79 333.816 3

Activity (Go SEA)

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