UCSF

ZINC35415520

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 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) 2.18 7.33 -57.52 2 3 0 57 290.132 6
Hi High (pH 8-9.5) 2.18 5.96 -44.6 1 3 -1 52 289.124 6

Activity (Go SEA)

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