UCSF

ZINC27639828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 Yes

CAS Number: 433219-55-7

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) 3.36 8.46 -53.13 2 5 -1 98 393.544 13
Lo Low (pH 4.5-6) 3.36 7.34 -13.59 3 5 0 95 394.552 13

Activity (Go SEA)

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