UCSF

ZINC34686891

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 25 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) 3.97 8.26 -9.56 0 4 0 31 361.869 6
Lo Low (pH 4.5-6) 3.97 10.52 -49.11 1 4 1 32 362.877 6

Activity (Go SEA)

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