UCSF

ZINC37864150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 4.72 10.64 -42.85 2 1 1 17 254.397 5
Mid Mid (pH 6-8) 4.72 9.48 -2.61 1 1 0 12 253.389 5

Activity (Go SEA)

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