UCSF

ZINC37202058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.66 9.11 -35.02 2 2 1 16 329.942 8
Hi High (pH 8-9.5) 4.66 6.97 -2.76 1 2 0 15 328.934 8

Activity (Go SEA)

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