UCSF

ZINC19609043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.91 8.03 -35.93 1 2 1 8 251.369 4
Hi High (pH 8-9.5) 2.91 5.57 -2.94 0 2 0 6 250.361 4

Activity (Go SEA)

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