UCSF

ZINC02508150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

CAS Numbers: 145-73-3 , 62059-43-2

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) -0.23 3.88 -121.16 0 5 -2 89 184.147 2
Lo Low (pH 4.5-6) -0.23 1.89 -46.07 1 5 -1 87 185.155 2

Activity (Go SEA)

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