UCSF

ZINC36626337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 1.03 -0.25 -18.39 1 8 0 107 327.343 3
Mid Mid (pH 6-8) 1.10 -1.89 -44.96 0 8 -1 114 326.335 3

Activity (Go SEA)

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