UCSF

ZINC36326704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 14 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) 0.34 -1.14 -6.4 3 5 0 71 201.27 4
Mid Mid (pH 6-8) 0.34 1.01 -38.89 4 5 1 72 202.278 4

Activity (Go SEA)

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