UCSF

ZINC37169584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 1.83 2.8 -45.97 3 2 1 31 225.278 4
Hi High (pH 8-9.5) 1.83 2.44 -1.27 2 2 0 29 224.27 4

Activity (Go SEA)

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