UCSF

ZINC44264662

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 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) 1.59 5.43 -12.7 1 3 0 42 173.219 1
Mid Mid (pH 6-8) 1.59 5.49 -8.62 1 3 0 42 173.219 1
Mid Mid (pH 6-8) 1.59 5.87 -27.75 2 3 1 43 174.227 1

Activity (Go SEA)

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