UCSF

ZINC27986413

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 35 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) 1.53 4.69 -105.3 5 8 2 98 490.641 12
Hi High (pH 8-9.5) 1.53 3.37 -50.29 4 8 1 94 489.633 12

Activity (Go SEA)

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