UCSF

ZINC36638640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 3.34 5.51 -18.95 0 5 0 67 380.535 3
Lo Low (pH 4.5-6) 3.34 8.16 -40.72 1 5 1 68 381.543 3

Activity (Go SEA)

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