UCSF

ZINC13684064

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 3.97 9.35 -12.72 2 4 0 46 331.485 5
Ref Reference (pH 7) 3.97 9.24 -11.84 2 4 0 46 331.485 5
Hi High (pH 8-9.5) 4.65 8.79 -47.43 1 4 -1 46 330.477 4

Activity (Go SEA)

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