UCSF

ZINC00095200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Other Names:

GANTRISIN

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) 1.13 0.46 -55.46 1 7 -1 103 308.339 4
Lo Low (pH 4.5-6) 1.13 1.1 -20.4 2 7 0 101 309.347 4

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC Pharmakon

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.