UCSF

ZINC36986990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 0.37 1.3 -38.21 4 5 1 66 215.321 4
Hi High (pH 8-9.5) 0.37 -0.96 -4.91 3 5 0 65 214.313 4
Mid Mid (pH 6-8) 0.37 0.98 -39.64 4 5 1 66 215.321 4

Activity (Go SEA)

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