UCSF

ZINC36332277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 1.73 4.03 -40.79 2 5 1 73 292.384 2
Mid Mid (pH 6-8) 1.73 3.94 -17.86 1 5 0 72 291.376 2

Activity (Go SEA)

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