UCSF

ZINC18180230

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 31 No

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) 6.41 14.99 -24.63 1 3 0 46 411.545 4
Mid Mid (pH 6-8) 6.80 14.17 -10.12 0 3 0 47 411.545 4

Activity (Go SEA)

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