UCSF

ZINC43446066

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.49 5.82 -46.89 3 4 1 63 303.176 6
Hi High (pH 8-9.5) 2.49 5.76 -8.47 2 4 0 62 302.168 6

Activity (Go SEA)

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