UCSF

ZINC16915511

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 28 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) 4.16 9.31 -58.05 1 7 -1 104 417.85 6
Ref Reference (pH 7) 3.67 9.19 -96.4 0 7 -2 103 416.842 7

Activity (Go SEA)

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