UCSF

ZINC20233999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 4.08 12.39 -78.94 1 7 0 83 476.573 13
Lo Low (pH 4.5-6) 4.08 11.57 -56.08 2 7 1 81 477.581 13

Activity (Go SEA)

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