UCSF

ZINC01383534

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

CAS Number: 77152-22-8

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) 3.68 8.35 -9.73 0 3 0 43 258.28 1

Vendor Notes

Note Type Comments Provided By
melting_point 218 - 220 KeyOrganics

Activity (Go SEA)

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