UCSF

ZINC08994809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 2.15 2.35 -53.51 0 7 -1 93 357.367 4
Lo Low (pH 4.5-6) 1.69 4.78 -13.81 1 7 0 90 358.375 4

Activity (Go SEA)

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