UCSF

ZINC58157758

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 32 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) 3.29 10.69 -54.89 2 7 1 78 438.548 9
Mid Mid (pH 6-8) 3.29 8.65 -17.59 1 7 0 77 437.54 9

Activity (Go SEA)

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