UCSF

ZINC40417491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 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) 2.19 5.89 -58.66 1 5 -1 78 261.301 6
Mid Mid (pH 6-8) 2.19 6.18 -54.41 2 5 0 79 262.309 6

Activity (Go SEA)

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