UCSF

ZINC59209316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 13 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) 2.01 2.8 -113.63 6 2 2 55 188.359 4
Hi High (pH 8-9.5) 2.01 2.71 -33.67 5 2 1 54 187.351 4
Hi High (pH 8-9.5) 2.01 2.86 -38.12 5 2 1 54 187.351 4

Activity (Go SEA)

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