UCSF

ZINC31824193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 25 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) 3.79 7.02 -65.6 1 5 -1 64 384.384 5
Mid Mid (pH 6-8) 3.06 7.35 -42.49 2 5 0 67 385.392 5

Activity (Go SEA)

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