UCSF

ZINC04230220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 31 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) 3.78 5.78 -18.24 4 8 0 120 481.306 6
Hi High (pH 8-9.5) 3.78 6.56 -64.93 3 8 -1 123 480.298 6
Lo Low (pH 4.5-6) 3.78 6.06 -39.56 5 8 1 121 482.314 6

Activity (Go SEA)

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