UCSF

ZINC36867487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.43 5.15 -39.12 2 4 1 46 269.752 3
Hi High (pH 8-9.5) 2.43 6.18 -56.24 1 4 0 49 268.744 3

Activity (Go SEA)

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