UCSF

ZINC36805421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 1.49 5.05 -35.22 1 3 1 21 260.814 4
Mid Mid (pH 6-8) 1.49 2.79 -4.94 0 3 0 19 259.806 4
Mid Mid (pH 6-8) 1.49 5.06 -36.04 1 3 1 21 260.814 4

Activity (Go SEA)

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