UCSF

ZINC01389110

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 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) 6.73 -1.16 -5.52 0 4 0 44 407.322 7

Vendor Notes

Note Type Comments Provided By
melting_point 91 - 93 KeyOrganics

Activity (Go SEA)

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