UCSF

ZINC00402416

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 24 Yes

CAS Number: 56-54-2

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) 3.06 7.5 -39.29 2 4 1 47 325.432 4
Lo Low (pH 4.5-6) 3.06 7.93 -90.16 3 4 2 48 326.44 4

Vendor Notes

Note Type Comments Provided By
MP 168-172 °C(lit.) Indofine

Activity (Go SEA)

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