UCSF

ZINC37009283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.86 8.72 -15.02 1 3 0 42 302.786 3
Hi High (pH 8-9.5) 4.05 7.01 -47.25 0 3 -1 48 301.778 3

Activity (Go SEA)

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