UCSF

ZINC36235860

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) 0.83 0.49 -52.82 4 6 1 84 267.305 4
Hi High (pH 8-9.5) 0.83 -0.96 -13.28 3 6 0 80 266.297 4
Hi High (pH 8-9.5) 0.83 0.11 -59.93 2 6 -1 83 265.289 4

Activity (Go SEA)

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