UCSF

ZINC07671534

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 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) 3.04 8.35 -13.39 1 6 0 75 385.851 6
Hi High (pH 8-9.5) 3.50 5.86 -47.08 0 6 -1 78 384.843 6

Activity (Go SEA)

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