UCSF

ZINC37169633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 0.77 0.77 -49.16 3 3 1 40 227.25 4
Hi High (pH 8-9.5) 0.77 -0.06 -3.45 2 3 0 38 226.242 4

Activity (Go SEA)

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