UCSF

ZINC44687315

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.34 5.93 -39.76 2 5 1 56 265.333 6
Lo Low (pH 4.5-6) 1.34 7.15 -121.42 3 5 2 60 266.341 6
Lo Low (pH 4.5-6) 1.34 4.81 -49.24 2 5 1 59 265.333 6

Activity (Go SEA)

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