UCSF

ZINC11616769

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 34 No

CAS Number: 115104-28-4

Other Names:

MK-571

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) 4.71 -0.04 -58.14 0 5 -1 73 514.092 11
Lo Low (pH 4.5-6) 4.71 0.06 -69.69 1 5 0 75 515.1 11

Activity (Go SEA)

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