UCSF

ZINC34966983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 3.24 8.59 -13.31 0 5 0 60 358.785 2
Lo Low (pH 4.5-6) 3.24 9.04 -43.61 1 5 1 61 359.793 2

Activity (Go SEA)

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