UCSF

ZINC13140462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 35 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) 4.67 9 -49.93 1 10 -1 149 491.505 7
Hi High (pH 8-9.5) 4.67 9.77 -95.07 0 10 -2 152 490.497 7
Mid Mid (pH 6-8) 4.67 8.92 -19.2 2 10 0 147 492.513 7

Activity (Go SEA)

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