UCSF

ZINC79016622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2012 13 No

CAS Number: 85141-94-2

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) -0.10 0.44 -8.51 1 4 0 48 257.124 10

Activity (Go SEA)

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