UCSF

ZINC44220710

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 5.51 9.51 -49.43 1 3 -1 60 289.395 4
Mid Mid (pH 6-8) 5.51 7.52 -5.99 2 3 0 58 290.403 4

Activity (Go SEA)

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