UCSF

ZINC36626336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 2.32 3.33 -16.19 1 6 0 89 333.394 3
Mid Mid (pH 6-8) 2.39 1.7 -48.07 0 6 -1 95 332.386 3

Activity (Go SEA)

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