UCSF

ZINC01530900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 23 Yes

CAS Numbers: 138890-62-7 , 150937-43-2 , 154127-19-2

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) 0.34 -2.85 -69.27 4 8 1 123 384.525 7
Hi High (pH 8-9.5) 0.34 -4.13 -17.41 3 8 0 119 383.517 7
Hi High (pH 8-9.5) 0.34 -3.64 -45.75 2 8 -1 116 382.509 7
Mid Mid (pH 6-8) 0.34 -2.36 -74.98 3 8 0 121 383.517 7

Vendor Notes

Note Type Comments Provided By
Therapy antiglaucoma SMDC Pharmakon

Activity (Go SEA)

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