UCSF

ZINC36305281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 14 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) 1.12 1.5 -42.21 3 3 1 40 201.334 5
Hi High (pH 8-9.5) 1.12 1.34 -1.72 2 3 0 38 200.326 5
Mid Mid (pH 6-8) 1.12 3.68 -112.99 4 3 2 41 202.342 5

Activity (Go SEA)

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