UCSF

ZINC13770916

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 23 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) 5.33 7.62 -7.52 1 4 0 54 344.823 3
Ref Reference (pH 7) 4.84 7.43 -42.08 0 4 -1 53 343.815 4

Activity (Go SEA)

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