UCSF

ZINC36386447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 33 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) 4.72 12.48 -53.2 2 6 1 80 453.534 7
Mid Mid (pH 6-8) 4.72 11.55 -17.75 1 6 0 76 452.526 7

Activity (Go SEA)

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