UCSF

ZINC21057691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 3.76 8.02 -36.01 2 3 1 33 291.459 5
Mid Mid (pH 6-8) 3.76 10.41 -116.92 3 3 2 34 292.467 5

Activity (Go SEA)

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