UCSF

ZINC16672994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 21 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) 4.76 7.79 -8.15 1 3 0 45 298.342 2
Ref Reference (pH 7) 4.27 7.67 -43.3 0 3 -1 44 297.334 3

Activity (Go SEA)

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