UCSF

ZINC37101862

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) 2.00 1.63 -9.12 2 4 0 58 246.307 5
Hi High (pH 8-9.5) 2.00 1.83 -44.99 1 4 -1 60 245.299 5

Activity (Go SEA)

Rings

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