UCSF

ZINC35116014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 0.26 0.59 -13.49 2 6 0 65 291.351 3
Lo Low (pH 4.5-6) 0.26 2.88 -50.24 3 6 1 66 292.359 3

Activity (Go SEA)

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