UCSF

ZINC04368856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 30 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) 4.41 11.16 -13.15 2 6 0 94 392.418 4
Hi High (pH 8-9.5) 4.48 9.56 -55.76 1 6 -1 101 391.41 4

Activity (Go SEA)

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