UCSF

ZINC36107538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 35 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) 4.60 5.95 -22.19 2 8 0 99 489.601 5
Mid Mid (pH 6-8) 4.60 8.44 -89.27 4 8 2 101 491.617 5
Mid Mid (pH 6-8) 4.60 6.1 -34.97 3 8 1 100 490.609 5

Activity (Go SEA)

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