UCSF

ZINC19795361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 Yes

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) -0.35 2.59 -49.06 0 5 -1 65 221.236 3
Mid Mid (pH 6-8) -0.35 2.92 -65.12 1 5 0 67 222.244 3

Activity (Go SEA)

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