UCSF

ZINC03154225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 20 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) 2.82 3.49 -15.07 1 5 0 68 265.272 3
Hi High (pH 8-9.5) 2.89 1.36 -55.56 0 5 -1 74 264.264 3

Activity (Go SEA)

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