UCSF

ZINC06622172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 2.14 6.15 -65.11 0 7 -1 92 384.408 8
Mid Mid (pH 6-8) 2.14 0.01 -16.52 1 7 0 89 385.416 8
Mid Mid (pH 6-8) 1.56 -0.14 -16.06 0 7 0 86 385.416 8

Activity (Go SEA)

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