UCSF

ZINC52685539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 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) 2.99 7.61 -56.33 2 4 1 59 283.351 7
Mid Mid (pH 6-8) 2.99 6.26 -8.19 1 4 0 54 282.343 7

Activity (Go SEA)

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