UCSF

ZINC23362749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.07 8.42 -38.1 3 5 1 57 382.528 8
Lo Low (pH 4.5-6) 3.07 9.64 -128.31 4 5 2 62 383.536 8

Activity (Go SEA)

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