UCSF

ZINC37823775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.30 2.48 -42.09 4 4 1 68 237.323 5
Hi High (pH 8-9.5) 1.30 2.14 -8.47 3 4 0 67 236.315 5

Activity (Go SEA)

Rings

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