UCSF

ZINC57611126

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 19 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) 3.55 8.37 -63.55 2 2 0 16 263.311 4
Mid Mid (pH 6-8) 3.55 7.62 -4.59 1 2 0 15 262.303 4

Activity (Go SEA)

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