UCSF

ZINC35136344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) -0.31 2.16 -44.07 3 5 1 64 211.289 5
Mid Mid (pH 6-8) -0.31 0.99 -12.23 2 5 0 59 210.281 5

Activity (Go SEA)

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