UCSF

ZINC02874719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 30 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) 5.08 -3.11 -15.6 2 6 0 84 444.94 6
Hi High (pH 8-9.5) 5.08 -2.52 -51.69 1 6 -1 86 443.932 6

Activity (Go SEA)

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