UCSF

ZINC34974423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.77 5.38 -39.84 1 5 0 61 238.287 4
Hi High (pH 8-9.5) 0.77 3.29 -50.91 0 5 -1 60 237.279 4
Mid Mid (pH 6-8) 0.77 5.56 -59.83 1 5 0 61 238.287 4

Activity (Go SEA)

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