UCSF

ZINC36162712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) -0.93 -0.18 -55.83 2 5 1 71 251.353 1
Mid Mid (pH 6-8) -0.93 -1.31 -17.91 1 5 0 66 250.345 1

Activity (Go SEA)

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