UCSF

ZINC53780753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 16 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) 2.74 8.13 -9.09 0 2 0 30 217.312 4
Lo Low (pH 4.5-6) 2.74 8.58 -34.01 1 2 1 31 218.32 4

Activity (Go SEA)

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