UCSF

ZINC34873271

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 3.58 10.32 -11.04 1 4 0 55 367.452 5
Lo Low (pH 4.5-6) 3.58 10.81 -48.6 2 4 1 56 368.46 5

Activity (Go SEA)

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