UCSF

ZINC34936908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.69 4.9 -92.42 0 6 -2 101 355.169 4
Mid Mid (pH 6-8) 2.69 5.36 -51.51 1 6 -1 99 356.177 4

Activity (Go SEA)

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