UCSF

ZINC35116690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) -1.28 -1.05 -44.11 3 5 1 60 216.305 4
Hi High (pH 8-9.5) -1.28 -2.49 -9.84 2 5 0 56 215.297 4
Mid Mid (pH 6-8) -1.28 1.29 -99.89 4 5 2 62 217.313 4

Activity (Go SEA)

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