UCSF

ZINC36808265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 0.34 7.71 -35.82 2 4 0 81 246.31 6
Hi High (pH 8-9.5) 0.34 6.44 -54.91 1 4 -1 76 245.302 6

Activity (Go SEA)

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