UCSF

ZINC06938652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 27 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) 0.41 3.34 -18.9 2 9 0 129 395.437 5
Hi High (pH 8-9.5) 1.32 1.19 -59.11 1 9 -1 132 394.429 5

Activity (Go SEA)

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