UCSF

ZINC36298111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) -0.05 -1.85 -50.05 4 6 1 96 266.368 6
Mid Mid (pH 6-8) 0.41 -4.15 -66.81 3 6 0 99 265.36 6

Activity (Go SEA)

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