UCSF

ZINC62843673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 2.02 9.12 -48.08 0 5 -1 69 262.333 4
Mid Mid (pH 6-8) 2.02 9.5 -61.23 1 5 0 70 263.341 4

Activity (Go SEA)

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