UCSF

ZINC43402148

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.10 -0.36 -43.15 3 6 1 79 269.369 4
Hi High (pH 8-9.5) 1.10 -0.6 -6.4 2 6 0 77 268.361 4
Mid Mid (pH 6-8) 1.10 1.85 -98.03 4 6 2 80 270.377 4

Activity (Go SEA)

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