UCSF

ZINC19291857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 22 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) 1.25 5.23 -51.53 0 7 -1 92 314.35 4
Mid Mid (pH 6-8) 1.25 5.16 -20.06 1 7 0 90 315.358 4

Activity (Go SEA)

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