UCSF

ZINC27755117

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 24 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) 2.67 8.78 -12.53 1 7 0 74 319.324 2
Mid Mid (pH 6-8) 2.85 8.47 -44.04 1 7 1 76 320.332 2

Activity (Go SEA)

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