UCSF

ZINC01757531

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 26 No

CAS Number: 546-18-9

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) 6.55 13.62 -44.7 0 2 -1 40 359.574 4
Lo Low (pH 4.5-6) 6.55 11.64 -4.41 1 2 0 37 360.582 4

Activity (Go SEA)

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