UCSF

ZINC20358444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 4.78 13.62 -111.25 0 6 -2 101 437.451 5
Ref Reference (pH 7) 4.78 13.9 -135.63 0 6 -2 101 437.451 6
Lo Low (pH 4.5-6) 4.78 13 -66.95 1 6 -1 98 438.459 6

Activity (Go SEA)

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