UCSF

ZINC40461202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 23 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) 1.91 6.13 -14.35 1 5 0 62 317.433 4
Lo Low (pH 4.5-6) 1.91 6.59 -47.08 2 5 1 64 318.441 4

Activity (Go SEA)

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