UCSF

ZINC43190676

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 28 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) 4.95 6.85 -20.32 3 7 0 108 376.368 6
Hi High (pH 8-9.5) 4.95 7.86 -64.91 2 7 -1 111 375.36 6

Activity (Go SEA)

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