UCSF

ZINC36626366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 2.88 5.06 -16.97 1 6 0 89 377.422 5
Mid Mid (pH 6-8) 2.94 3.42 -45.21 0 6 -1 95 376.414 5

Activity (Go SEA)

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