UCSF

ZINC17730128

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 33 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) 0.60 -4.78 -58.12 6 12 1 177 455.451 6
Hi High (pH 8-9.5) -1.36 -3.85 -54.29 3 12 -1 182 453.435 6
Mid Mid (pH 6-8) 0.60 -6.19 -17.87 5 12 0 182 454.443 6

Activity (Go SEA)

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