UCSF

ZINC18098811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 20 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) 5.20 7.99 -7.51 1 3 0 45 320.826 2
Ref Reference (pH 7) 4.70 7.47 -37.64 0 3 -1 44 319.818 3
Hi High (pH 8-9.5) 5.65 6.19 -45.72 0 3 -1 48 319.818 2

Activity (Go SEA)

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