UCSF

ZINC39296434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.34 5.33 -51.08 1 6 1 62 386.497 3
Mid Mid (pH 6-8) 2.34 5.56 -55.62 1 6 1 62 386.497 3
Mid Mid (pH 6-8) 2.34 3.06 -16.13 0 6 0 61 385.489 3

Activity (Go SEA)

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