UCSF

ZINC42714290

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.95 6.16 -62.38 0 6 -1 83 263.273 4
Mid Mid (pH 6-8) 0.95 4.83 -41.12 1 6 0 84 264.281 4
Mid Mid (pH 6-8) 0.95 5.15 -17.23 1 6 0 80 264.281 4

Activity (Go SEA)

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