UCSF

ZINC22160124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 0.74 4.88 -75.39 1 7 0 87 315.395 5
Mid Mid (pH 6-8) 0.74 2.61 -52.92 0 7 -1 86 314.387 5

Activity (Go SEA)

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