UCSF

ZINC37859128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 16 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) 0.15 -2.03 -11.65 2 6 0 88 266.344 6
Mid Mid (pH 6-8) 0.61 -4.32 -41.26 1 6 -1 91 265.336 6

Activity (Go SEA)

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