UCSF

ZINC51993354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 22 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) 1.30 5.09 -36.66 2 6 1 57 311.45 6
Hi High (pH 8-9.5) 1.30 3.12 -7.68 1 6 0 56 310.442 6

Activity (Go SEA)

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