UCSF

ZINC20229116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 2.97 9.99 -73.07 1 7 0 83 501.377 7
Lo Low (pH 4.5-6) 2.97 9.18 -50.84 2 7 1 81 502.385 7

Activity (Go SEA)

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