UCSF

ZINC37049286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.07 2.39 -91.45 4 4 2 45 231.384 8
Hi High (pH 8-9.5) 0.07 0.14 -43.07 3 4 1 43 230.376 8

Activity (Go SEA)

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