UCSF

ZINC42267764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 2.86 4.1 -10.87 1 5 0 72 326.201 6
Hi High (pH 8-9.5) 2.86 4.03 -37.54 0 5 -1 75 325.193 6

Activity (Go SEA)

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