UCSF

ZINC06197062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 2.30 6.32 -62.41 0 7 -1 92 384.408 9
Mid Mid (pH 6-8) 2.75 0.02 -18.88 1 7 0 89 385.416 8
Mid Mid (pH 6-8) 1.72 0.11 -26.8 0 7 0 86 385.416 9

Activity (Go SEA)

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