UCSF

ZINC36091383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 18 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) 0.60 1.7 -41.49 3 6 1 79 275.398 5
Hi High (pH 8-9.5) 0.60 -0.51 -8.84 2 6 0 78 274.39 5

Activity (Go SEA)

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