UCSF

ZINC37869425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 2.81 5.3 -36.16 4 4 1 69 285.367 6
Mid Mid (pH 6-8) 2.81 4.48 -6.63 3 4 0 64 284.359 6

Activity (Go SEA)

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