UCSF

ZINC36296398

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) -0.78 -3.34 -47.43 4 7 1 99 307.421 5
Mid Mid (pH 6-8) -0.32 -5.63 -67.02 3 7 0 102 306.413 5

Activity (Go SEA)

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