UCSF

ZINC06813178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 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) 3.49 8.73 -55.66 0 5 -1 70 384.839 6
Mid Mid (pH 6-8) 3.94 8.22 -16.27 1 5 0 67 385.847 5
Mid Mid (pH 6-8) 2.91 9.14 -8.53 0 5 0 64 385.847 6

Activity (Go SEA)

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