UCSF

ZINC59991131

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 3.71 5.41 -4.26 1 2 0 21 191.274 2
Lo Low (pH 4.5-6) 3.71 5.83 -32.03 2 2 1 26 192.282 2

Activity (Go SEA)

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