UCSF

ZINC35464281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.23 9.16 -161.14 1 9 -3 167 357.335 12
Lo Low (pH 4.5-6) 0.23 7.18 -107.47 2 9 -2 164 358.343 12

Activity (Go SEA)

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