UCSF

ZINC45702198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.08 4.47 -106.72 4 5 2 68 248.367 11
Hi High (pH 8-9.5) 0.08 4.47 -44.7 3 5 1 70 247.359 11
Mid Mid (pH 6-8) 0.08 3.12 -35.76 3 5 1 63 247.359 11

Activity (Go SEA)

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