UCSF

ZINC19504362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.63 4.06 -106.41 4 3 2 35 245.436 4
Mid Mid (pH 6-8) 0.63 1.74 -49.52 3 3 1 34 244.428 4

Activity (Go SEA)

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