UCSF

ZINC70614001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) 3.61 8.52 -34.77 1 1 1 4 204.765 4
Hi High (pH 8-9.5) 3.61 6.43 -0.75 0 1 0 3 203.757 4

Activity (Go SEA)

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