UCSF

ZINC20581779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 0.52 3.37 -16.26 0 8 0 87 385.486 3
Mid Mid (pH 6-8) 0.52 5.76 -67.48 1 8 1 88 386.494 3

Activity (Go SEA)

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