UCSF

ZINC02789792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 21 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) 2.13 -0.91 -11.37 1 6 0 81 318.301 5
Hi High (pH 8-9.5) 2.13 -0.34 -39.2 0 6 -1 83 317.293 5

Activity (Go SEA)

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