UCSF

ZINC33260524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2009 30 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) 3.46 11.3 -74.6 2 7 0 90 406.486 8
Hi High (pH 8-9.5) 3.46 8.77 -52.27 1 7 -1 89 405.478 8

Activity (Go SEA)

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