UCSF

ZINC37831721

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.74 7.46 -76.88 1 5 0 65 254.33 4
Mid Mid (pH 6-8) 0.74 5.2 -53.25 0 5 -1 64 253.322 4

Activity (Go SEA)

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