UCSF

ZINC00814046

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 25 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) 2.97 7.72 -23.67 2 6 0 80 355.419 5
Hi High (pH 8-9.5) 3.16 5.14 -56.34 1 6 -1 87 354.411 5

Activity (Go SEA)

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