UCSF

ZINC00540791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 18 Yes

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) 0.75 8.42 -52.37 0 8 -1 95 252.254 3
Lo Low (pH 4.5-6) 0.75 8.74 -25.03 1 8 0 96 253.262 3

Activity (Go SEA)

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