UCSF

ZINC03529685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 19 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) 2.20 4.47 -14.88 1 5 0 62 361.242 3
Hi High (pH 8-9.5) 2.20 5.39 -50.31 0 5 -1 65 360.234 3

Activity (Go SEA)

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