UCSF

ZINC40918409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 26 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) 2.21 11.6 -57.1 0 5 -1 71 358.32 4
Lo Low (pH 4.5-6) 2.21 10.78 -23.79 1 5 0 75 359.328 4

Activity (Go SEA)

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