UCSF

ZINC08649823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 18 No

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) 2.06 6.61 -30.68 3 4 1 59 240.286 4
Hi High (pH 8-9.5) 2.59 6.96 -12.55 2 4 0 57 239.278 4
Mid Mid (pH 6-8) 2.06 7.94 -24.42 2 4 0 61 239.278 4

Activity (Go SEA)

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