UCSF

ZINC60214038

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 28 No

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) -0.87 6.03 -49.14 2 10 -1 155 383.34 7
Hi High (pH 8-9.5) 0.04 3.82 -89.56 1 10 -2 158 382.332 7
Mid Mid (pH 6-8) -0.87 8.68 -47.98 3 10 0 156 384.348 7

Activity (Go SEA)

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