UCSF

ZINC36305327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) 2.19 3.84 -42.01 3 3 1 40 229.388 7
Hi High (pH 8-9.5) 2.19 3.29 -1.42 2 3 0 38 228.38 7
Mid Mid (pH 6-8) 2.19 5.2 -116.76 4 3 2 41 230.396 7

Activity (Go SEA)

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