UCSF

ZINC41681410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.19 4.01 -37.24 3 5 1 67 252.338 6
Hi High (pH 8-9.5) 1.19 5.47 -74.91 3 5 1 71 252.338 6
Mid Mid (pH 6-8) 1.19 5.01 -58.97 2 5 0 69 251.33 6

Activity (Go SEA)

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