UCSF

ZINC37098351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.32 6.69 -121.04 4 2 2 32 206.333 3
Hi High (pH 8-9.5) 0.32 4.42 -2.33 2 2 0 29 204.317 3
Mid Mid (pH 6-8) 0.32 6.38 -33.68 3 2 1 30 205.325 3
Mid Mid (pH 6-8) 0.32 4.73 -37.24 3 2 1 31 205.325 3

Activity (Go SEA)

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