UCSF

ZINC35186190

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 2.32 1.82 -42.88 0 6 -1 80 311.726 3
Lo Low (pH 4.5-6) 2.32 1.77 -11.59 1 6 0 78 312.734 3

Activity (Go SEA)

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