UCSF

ZINC13469247

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 33 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) 3.80 8.19 -15.91 1 7 0 71 457.456 6
Mid Mid (pH 6-8) 3.80 8.48 -44.1 2 7 1 72 458.464 6

Activity (Go SEA)

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