UCSF

ZINC44220622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 No

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) 2.99 5.44 -48.96 1 3 -1 60 205.233 2
Mid Mid (pH 6-8) 2.99 3.44 -7.05 2 3 0 58 206.241 2

Activity (Go SEA)

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