UCSF

ZINC37655404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 14 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) 0.52 4.41 -36.77 2 4 1 43 201.29 6
Mid Mid (pH 6-8) 0.52 5.73 -102.04 3 4 2 47 202.298 6
Mid Mid (pH 6-8) 0.52 1.75 -5.73 1 4 0 42 200.282 6

Activity (Go SEA)

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