UCSF

ZINC05826171

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 15 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) 3.67 7.64 -29.32 2 2 1 26 203.309 3
Hi High (pH 8-9.5) 3.67 7.41 -7.12 1 2 0 24 202.301 4

Activity (Go SEA)

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