UCSF

ZINC29236984

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 26 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) 6.71 11.36 -7.46 2 3 0 49 386.278 4
Hi High (pH 8-9.5) 6.71 12.21 -50.21 1 3 -1 52 385.27 4

Activity (Go SEA)

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