UCSF

ZINC44836205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 Yes

Other Names:

MFCD18173526

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) 5.20 5.99 -4.88 2 2 0 32 347.039 3
Hi High (pH 8-9.5) 5.20 6.75 -34.47 1 2 -1 35 346.031 3

Activity (Go SEA)

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