UCSF

ZINC22416445

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 27 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) 3.42 7.53 -44.22 2 7 1 68 436.33 5
Mid Mid (pH 6-8) 3.42 5.06 -11.71 1 7 0 67 435.322 5

Activity (Go SEA)

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