UCSF

ZINC18209306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 16 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) 3.64 5.63 -8.96 1 3 0 45 232.308 1
Ref Reference (pH 7) 2.72 6.26 -10.53 1 3 0 42 232.308 2

Activity (Go SEA)

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