UCSF

ZINC45702962

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.42 4.84 -41.56 3 5 1 72 259.37 9
Hi High (pH 8-9.5) 1.42 3.58 -7.74 2 5 0 67 258.362 9

Activity (Go SEA)

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