UCSF

ZINC34824864

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 18 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) 2.25 7.69 -36.9 2 4 1 38 253.414 7
Hi High (pH 8-9.5) 2.25 6.33 -4.64 1 4 0 33 252.406 7

Activity (Go SEA)

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