UCSF

ZINC36134839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 2.14 7.63 -37.98 2 3 1 37 247.362 3
Hi High (pH 8-9.5) 2.14 6.35 -8.94 1 3 0 32 246.354 3

Activity (Go SEA)

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