UCSF

ZINC35649778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 14 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) 0.67 2.15 -35.7 2 3 1 28 201.334 5
Lo Low (pH 4.5-6) 0.67 2.07 -34.86 2 3 1 28 201.334 5
Lo Low (pH 4.5-6) 0.67 4.53 -97.95 3 3 2 29 202.342 5

Activity (Go SEA)

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