UCSF

ZINC40192470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 4.65 12.72 -14.14 1 5 0 56 419.912 8
Mid Mid (pH 6-8) 4.65 13.22 -39.95 2 5 1 57 420.92 8

Activity (Go SEA)

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