UCSF

ZINC51952578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 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) 1.36 5.95 -34.17 1 4 1 34 241.355 4
Lo Low (pH 4.5-6) 1.36 8.19 -98.24 2 4 2 35 242.363 4

Activity (Go SEA)

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