UCSF

ZINC36268340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) 0.20 0.48 -48.1 5 5 1 85 219.268 3
Lo Low (pH 4.5-6) 0.20 0.95 -103.92 6 5 2 86 220.276 3

Activity (Go SEA)

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