UCSF

ZINC35765920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 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) 3.71 8.82 -116.6 4 2 2 32 288.479 4
Hi High (pH 8-9.5) 3.71 9.26 -31.86 3 2 1 30 287.471 4
Hi High (pH 8-9.5) 3.71 7.23 -38.87 3 2 1 31 287.471 4

Activity (Go SEA)

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