UCSF

ZINC36075382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 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) 0.99 4.18 -34.56 4 3 1 42 220.34 3
Lo Low (pH 4.5-6) 0.99 5.37 -103.12 5 3 2 47 221.348 3

Activity (Go SEA)

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