UCSF

ZINC36207736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 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) 4.45 10.29 -56.97 3 7 1 89 486.658 13
Hi High (pH 8-9.5) 4.91 7.85 -43.12 2 7 0 92 485.65 13

Activity (Go SEA)

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