UCSF

ZINC33097123

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 36 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) 6.74 11.95 -18.86 1 7 0 90 500.576 6
Hi High (pH 8-9.5) 6.74 12.74 -47.44 0 7 -1 93 499.568 6

Activity (Go SEA)

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