UCSF

ZINC36638605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 2.22 4.66 -19.99 0 5 0 67 366.508 4
Lo Low (pH 4.5-6) 2.22 6.63 -42.8 1 5 1 68 367.516 4

Activity (Go SEA)

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