UCSF

ZINC61077373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2011 16 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) 2.36 5.48 -7.51 1 3 0 32 220.316 5
Lo Low (pH 4.5-6) 2.36 6.26 -22.46 2 3 0 34 221.324 5

Activity (Go SEA)

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