UCSF

ZINC20235749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 4.12 8.12 -53.51 1 6 -1 91 386.431 3
Lo Low (pH 4.5-6) 3.67 9.91 -12.99 2 6 0 88 387.439 3

Activity (Go SEA)

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