UCSF

ZINC13552314

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

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) 4.17 10.34 -57.38 0 9 -1 125 467.498 11
Mid Mid (pH 6-8) 4.61 11.13 -12.37 1 9 0 122 468.506 10

Activity (Go SEA)

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