UCSF

ZINC37483456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 1.35 5.49 -33.41 2 3 1 29 220.34 5
Lo Low (pH 4.5-6) 1.35 6.68 -109.43 3 3 2 34 221.348 5

Activity (Go SEA)

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