UCSF

ZINC37128000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.36 8.11 -35.87 2 2 1 29 305.492 3
Hi High (pH 8-9.5) 2.36 8.04 -6.6 1 2 0 25 304.484 3

Activity (Go SEA)

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