UCSF

ZINC37206727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 3.93 9.09 -38.39 2 3 1 29 341.298 4
Hi High (pH 8-9.5) 3.93 6.93 -5.04 1 3 0 28 340.29 4

Activity (Go SEA)

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