UCSF

ZINC27417863

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 27 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) -3.72 10.19 -103.73 0 6 0 65 373.428 5
Mid Mid (pH 6-8) -5.24 9.23 -75.67 1 6 1 68 374.436 4

Activity (Go SEA)

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