UCSF

ZINC58184785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 26 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) 2.28 7.04 -48.86 2 6 1 59 375.518 7
Mid Mid (pH 6-8) 2.28 4.79 -15.5 1 6 0 58 374.51 7

Activity (Go SEA)

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