UCSF

ZINC25537832

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 31 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) 3.56 7.58 -19.08 1 6 0 64 421.472 7
Lo Low (pH 4.5-6) 3.56 9.54 -56.18 2 6 1 65 422.48 7

Activity (Go SEA)

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