UCSF

ZINC06565612

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 25 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) 1.19 3.87 -57.81 1 6 -1 94 357.773 5
Mid Mid (pH 6-8) 1.63 3.15 -24.29 2 6 0 91 358.781 4
Lo Low (pH 4.5-6) 1.63 3.44 -59.73 3 6 1 92 359.789 4

Activity (Go SEA)

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