UCSF

ZINC49767184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 37 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) 9.06 20.98 -24.05 2 5 1 57 506.755 15
Hi High (pH 8-9.5) 9.06 20.69 -15.78 1 5 0 56 505.747 15
Mid Mid (pH 6-8) 9.06 20.82 -83.95 3 5 2 61 507.763 15

Activity (Go SEA)

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