UCSF

ZINC37854579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 2.58 7.53 -35.46 2 2 1 16 251.419 5
Lo Low (pH 4.5-6) 2.58 8.71 -107.63 3 2 2 21 252.427 5
Lo Low (pH 4.5-6) 2.58 6.32 -42.97 2 2 1 20 251.419 5

Activity (Go SEA)

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