UCSF

ZINC04644930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2005 20 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) 4.12 7.32 -9.74 2 3 0 48 282.368 3
Lo Low (pH 4.5-6) 4.12 7.68 -34.04 3 3 1 49 283.376 3

Activity (Go SEA)

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