UCSF

ZINC20199288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 0.65 5.39 -49.7 3 5 1 64 276.36 8
Hi High (pH 8-9.5) 0.65 4.04 -11.89 2 5 0 59 275.352 8
Lo Low (pH 4.5-6) 0.65 5.87 -87.22 4 5 2 65 277.368 8

Activity (Go SEA)

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