UCSF

ZINC37859646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) -0.95 -5.73 -21.92 3 8 0 125 315.398 6
Mid Mid (pH 6-8) -0.49 -8.03 -49.9 2 8 -1 128 314.39 6

Activity (Go SEA)

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