UCSF

ZINC36988203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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 8.12 -34.92 3 2 1 30 239.342 2
Hi High (pH 8-9.5) 2.18 5.9 -3.94 2 2 0 29 238.334 2

Activity (Go SEA)

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