UCSF

ZINC05676063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 26 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) 3.22 7.12 -13.88 1 6 0 73 393.226 4
Hi High (pH 8-9.5) 3.68 6.43 -38.41 0 6 -1 76 392.218 4

Activity (Go SEA)

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