UCSF

ZINC37269456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.12 1.2 -61.47 4 5 1 73 209.273 4
Hi High (pH 8-9.5) -0.12 0.78 -13.17 3 5 0 71 208.265 4
Mid Mid (pH 6-8) -0.12 1.8 -107.26 5 5 2 74 210.281 4

Activity (Go SEA)

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