UCSF

ZINC26012751

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 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) 3.18 9.69 -41.9 1 3 1 23 286.395 6
Hi High (pH 8-9.5) 3.18 7.35 -7.2 0 3 0 22 285.387 6

Activity (Go SEA)

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