UCSF

ZINC03978719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 29 No

CAS Number: 81-23-2

Other Names:

DILABIL

LS-193756

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) 2.78 11.34 -52.81 0 5 -1 91 401.523 4
Lo Low (pH 4.5-6) 2.78 9.36 -15.04 1 5 0 89 402.531 4

Vendor Notes

Note Type Comments Provided By
Therapy choleretic SMDC Pharmakon

Activity (Go SEA)

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