UCSF

ZINC37820034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.10 2.26 -52.4 3 6 1 83 304.436 7
Hi High (pH 8-9.5) -0.10 0.88 -17.92 2 6 0 79 303.428 7

Activity (Go SEA)

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