UCSF

ZINC45688523

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.15 5.68 -38.51 4 3 1 42 240.346 6
Hi High (pH 8-9.5) 3.15 3.4 -3.25 3 3 0 41 239.338 6

Activity (Go SEA)

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