UCSF

ZINC36755077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 4.42 7.31 -7.75 1 3 0 46 262.74 2
Hi High (pH 8-9.5) 4.87 5.65 -46.87 0 3 -1 49 261.732 2

Activity (Go SEA)

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