UCSF

ZINC43453342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) -0.37 6.35 -53.07 1 4 1 49 212.317 7
Mid Mid (pH 6-8) -0.37 4.19 -12.81 0 4 0 47 211.309 7

Activity (Go SEA)

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