UCSF

ZINC34560651

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) 3.13 7.65 -4.83 0 3 0 30 299.823 4
Lo Low (pH 4.5-6) 3.13 9.51 -34.07 1 3 1 31 300.831 4

Activity (Go SEA)

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