UCSF

ZINC36873299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 Yes

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) 0.14 1.39 -43.45 3 4 1 57 201.29 3
Hi High (pH 8-9.5) 0.14 1.08 -5.4 2 4 0 56 200.282 3

Activity (Go SEA)

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