UCSF

ZINC04879464

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 31 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) 3.68 11.04 -16.71 2 9 0 111 418.457 5
Lo Low (pH 4.5-6) 3.86 11.41 -39.51 3 9 1 116 419.465 5

Activity (Go SEA)

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