UCSF

ZINC35502285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 5.06 13.63 -15.4 1 5 0 58 414.553 5
Mid Mid (pH 6-8) 5.06 13.98 -39.15 2 5 1 59 415.561 5

Activity (Go SEA)

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