UCSF

ZINC44871342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 1.84 5.76 -39.31 3 5 1 68 304.414 5
Hi High (pH 8-9.5) 1.84 3.77 -16.79 2 5 0 67 303.406 5

Activity (Go SEA)

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