UCSF

ZINC61993699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 0.27 4.4 -36.31 2 4 1 34 209.317 6
Hi High (pH 8-9.5) 0.27 1.94 -5.91 1 4 0 33 208.309 6
Mid Mid (pH 6-8) 0.27 5.75 -114.75 3 4 2 39 210.325 6
Mid Mid (pH 6-8) 0.27 3.31 -43.44 2 4 1 38 209.317 6

Activity (Go SEA)

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