UCSF

ZINC58558369

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 44 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) -2.66 3.18 -345.94 29 20 5 399 615.732 16
Hi High (pH 8-9.5) -2.79 2.33 -336.62 29 20 5 401 615.732 15
Mid Mid (pH 6-8) -2.66 2.73 -462.23 30 20 6 400 616.74 16

Activity (Go SEA)

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