UCSF

ZINC59384326

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 23 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) 3.71 10.57 -48.14 1 4 1 47 311.405 9
Hi High (pH 8-9.5) 3.71 8.2 -9.61 0 4 0 45 310.397 9

Activity (Go SEA)

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