UCSF

ZINC37560120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 1.60 5.11 -65.83 1 7 -1 104 308.339 4
Mid Mid (pH 6-8) 1.60 5.18 -121.44 0 7 -2 106 307.331 4

Activity (Go SEA)

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