UCSF

ZINC04268037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 22 Yes

CAS Number: 19201-53-7

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) 4.43 7.75 -5.4 2 4 0 70 420.06 1
Lo Low (pH 4.5-6) 4.43 5.53 -6.2 2 4 0 66 420.06 1

Activity (Go SEA)

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