UCSF

ZINC31806621

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 26 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) 1.93 6.89 -24.34 2 8 0 106 346.35 3
Mid Mid (pH 6-8) 2.38 6.07 -56.55 1 8 -1 109 345.342 3

Activity (Go SEA)

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