UCSF

ZINC02857859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 3.20 -7.06 -14.24 1 7 0 92 412.533 9
Hi High (pH 8-9.5) 3.20 -6.48 -43.65 0 7 -1 94 411.525 9

Activity (Go SEA)

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