UCSF

ZINC20593513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 17 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) 1.71 5.78 -87.14 3 3 2 24 241.423 4
Lo Low (pH 4.5-6) 1.71 8.11 -190.42 4 3 3 25 242.431 4

Activity (Go SEA)

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