UCSF

ZINC04605360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 29 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) 2.37 8.17 -53.97 4 6 1 94 393.511 9
Hi High (pH 8-9.5) 2.83 6.42 -69.56 3 6 0 97 392.503 9

Activity (Go SEA)

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