UCSF

ZINC22146079

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 37 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) 3.65 9.23 -54.62 0 9 -1 112 501.515 9
Lo Low (pH 4.5-6) 3.19 10.99 -19.53 1 9 0 109 502.523 9

Activity (Go SEA)

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