UCSF

ZINC00622806

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 No

Other Names:

MFCD03172508

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) 2.56 4.73 -15.08 4 7 0 117 385.427 3
Lo Low (pH 4.5-6) 2.56 4.89 -59.19 5 7 1 118 386.435 3

Activity (Go SEA)

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