UCSF

ZINC06926756

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 23 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) 4.78 8.87 -17.95 1 4 0 51 371.22 4
Hi High (pH 8-9.5) 4.96 7.81 -37.87 0 4 -1 58 370.212 4

Activity (Go SEA)

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