UCSF

ZINC36198497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 3.16 10.16 -60.61 0 4 -1 60 284.42 8
Lo Low (pH 4.5-6) 3.16 8.23 -9.34 1 4 0 58 285.428 8

Activity (Go SEA)

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