UCSF

ZINC00502336

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 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) 2.32 9.7 -63.74 1 6 -1 87 322.344 5
Mid Mid (pH 6-8) 2.32 10.14 -63.25 2 6 0 88 323.352 5
Lo Low (pH 4.5-6) 2.32 8.17 -35.73 3 6 1 85 324.36 5

Activity (Go SEA)

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