UCSF

ZINC37869612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.00 3.61 -42.86 4 4 1 69 259.329 5
Mid Mid (pH 6-8) 2.00 2.52 -10.1 3 4 0 64 258.321 5

Activity (Go SEA)

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