UCSF

ZINC35411642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 14 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) -2.15 -0.77 -49.16 3 6 1 90 197.218 2
Hi High (pH 8-9.5) -1.96 -1.93 -40.98 1 6 -1 92 195.202 2
Mid Mid (pH 6-8) -2.15 -1.99 -8.56 2 6 0 85 196.21 2

Activity (Go SEA)

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