UCSF

ZINC34560522

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 6.12 15.24 -7.32 0 3 0 21 363.892 4
Lo Low (pH 4.5-6) 6.12 15.2 -22.35 1 3 1 22 364.9 4

Activity (Go SEA)

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