UCSF

ZINC40321897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 21 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) 0.78 0.99 -12.05 3 6 0 79 310.423 4
Mid Mid (pH 6-8) 0.78 3.18 -47.54 4 6 1 80 311.431 4
Lo Low (pH 4.5-6) 0.78 2.98 -101.51 5 6 2 81 312.439 4

Activity (Go SEA)

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