UCSF

ZINC37776976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.35 7.95 -4.6 1 2 0 25 254.377 5
Mid Mid (pH 6-8) 3.35 8.85 -38.3 2 2 1 29 255.385 5

Activity (Go SEA)

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