UCSF

ZINC42460899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 2.72 9.16 -49.93 1 5 0 81 269.304 4
Mid Mid (pH 6-8) 2.72 8.82 -51.64 0 5 -1 80 268.296 4

Activity (Go SEA)

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