UCSF

ZINC20461081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.25 12.42 -74 1 7 0 82 446.551 9
Lo Low (pH 4.5-6) 3.25 11.6 -51.07 2 7 1 79 447.559 9

Activity (Go SEA)

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