UCSF

ZINC34625370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 No

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) 3.22 9.17 -48.97 1 4 -1 69 328.413 7
Hi High (pH 8-9.5) 3.22 9.71 -95.46 1 4 -2 69 327.405 7

Activity (Go SEA)

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