UCSF

ZINC06899752

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 28 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) 2.56 9.32 -48.59 2 7 0 89 384.432 8
Hi High (pH 8-9.5) 2.56 7.95 -52.63 1 7 -1 85 383.424 8

Activity (Go SEA)

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