UCSF

ZINC03984032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 20 Yes

CAS Number: 70-00-8

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) -0.99 -4.2 -11.51 3 7 0 105 296.201 3
Mid Mid (pH 6-8) -0.53 -6.85 -47.64 2 7 -1 108 295.193 3

Vendor Notes

Note Type Comments Provided By
Therapy antiviral SMDC Pharmakon
therap antiviral (opthalmic) MicroSource Spectrum

Activity (Go SEA)

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