UCSF

ZINC37859597

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 2.55 5.76 -8.56 1 4 0 48 283.755 6
Mid Mid (pH 6-8) 2.55 6.82 -34.97 2 4 1 52 284.763 6

Activity (Go SEA)

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