UCSF

ZINC25525443

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 3.82 3.86 -20.99 3 6 0 106 408.545 6
Hi High (pH 8-9.5) 3.82 4.54 -46.51 2 6 -1 104 407.537 6
Hi High (pH 8-9.5) 3.82 3.93 -54.71 2 6 -1 108 407.537 6

Activity (Go SEA)

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