UCSF

ZINC20258092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 0.24 1.16 -59.78 2 6 -1 98 259.307 7
Lo Low (pH 4.5-6) 0.24 0.04 -23.75 3 6 0 95 260.315 7

Activity (Go SEA)

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