UCSF

ZINC37387050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.24 7.93 -42.5 2 3 1 37 259.373 3
Hi High (pH 8-9.5) 2.24 6.76 -7.61 1 3 0 32 258.365 3

Activity (Go SEA)

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