UCSF

ZINC15188158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 27 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) 4.87 12.63 -13.32 0 4 0 47 371.465 3
Lo Low (pH 4.5-6) 4.87 12.53 -37.73 1 4 1 49 372.473 3

Activity (Go SEA)

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