UCSF

ZINC34687138

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.94 8.21 -15.49 0 6 0 51 444.959 7
Lo Low (pH 4.5-6) 3.94 10.48 -56.15 1 6 1 52 445.967 7

Activity (Go SEA)

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