UCSF

ZINC41934477

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 20 Yes

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) 1.06 1.49 -7.04 1 6 0 68 281.356 5
Mid Mid (pH 6-8) 1.06 4.54 -40.15 2 6 1 69 282.364 5

Activity (Go SEA)

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