UCSF

ZINC33808425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 2.80 9.58 -56.48 0 8 -1 101 467.542 13
Lo Low (pH 4.5-6) 2.80 8.29 -22.91 1 8 0 98 468.55 13

Activity (Go SEA)

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