UCSF

ZINC04133098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 21 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) 4.57 8.69 -22.43 3 2 1 40 271.343 1
Hi High (pH 8-9.5) 4.57 8.31 -8.98 2 2 0 39 270.335 1

Activity (Go SEA)

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