UCSF

ZINC03977914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 23 Yes

CAS Number: 1695-77-8

Other Names:

SPECTINOMYCIN HCL

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) -2.73 -4.71 -109.6 7 9 2 139 334.369 2
Hi High (pH 8-9.5) -2.73 -7.12 -9.69 5 9 0 130 332.353 2
Mid Mid (pH 6-8) -2.73 -5.98 -38.38 6 9 1 134 333.361 2
Mid Mid (pH 6-8) -2.73 -5.78 -44.73 6 9 1 134 333.361 2

Vendor Notes

Note Type Comments Provided By
Purity USP24 APIChem

Activity (Go SEA)

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