UCSF

ZINC34638916

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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 6.61 -46.72 1 4 -1 69 219.264 3
Mid Mid (pH 6-8) 2.81 6.63 -56.3 1 4 -1 69 219.264 3

Activity (Go SEA)

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