UCSF

ZINC33994789

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 18 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) -2.77 0.11 -62.07 5 6 0 117 252.27 6
Mid Mid (pH 6-8) -2.77 -0.21 -56.42 4 6 -1 115 251.262 6

Activity (Go SEA)

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