UCSF

ZINC00863009

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 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) 3.87 -1.19 -11.7 1 4 0 54 353.425 4
Lo Low (pH 4.5-6) 3.87 -1.08 -48.15 2 4 1 56 354.433 4

Activity (Go SEA)

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