UCSF

ZINC37875203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.18 2.71 -47.51 3 5 1 79 265.333 8
Hi High (pH 8-9.5) 1.18 1.41 -10.58 2 5 0 75 264.325 8

Activity (Go SEA)

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