UCSF

ZINC58190483

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 25 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) 2.18 7.83 -46.36 3 5 1 63 340.447 7
Mid Mid (pH 6-8) 2.18 5.31 -9.48 2 5 0 61 339.439 7

Activity (Go SEA)

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