UCSF

ZINC37823383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 1.19 5.18 -45.4 2 4 1 61 212.317 6
Hi High (pH 8-9.5) 1.19 4.15 -9.77 1 4 0 56 211.309 6

Activity (Go SEA)

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