UCSF

ZINC21876770

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 37 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) 1.03 6.7 -49.57 3 10 1 104 514.626 9
Hi High (pH 8-9.5) 1.03 4.4 -17.11 2 10 0 103 513.618 9
Mid Mid (pH 6-8) 1.03 6.7 -54.26 3 10 1 104 514.626 9

Activity (Go SEA)

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