UCSF

ZINC37823672

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -2.37 -0.27 -99.11 6 6 2 95 230.312 4
Hi High (pH 8-9.5) -2.37 -1.89 -54.49 5 6 1 94 229.304 4

Activity (Go SEA)

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