UCSF

ZINC40070026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 Yes

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) 2.51 6.14 -15.13 0 6 0 55 409.408 8
Mid Mid (pH 6-8) 2.51 8.42 -50.6 1 6 1 56 410.416 8

Activity (Go SEA)

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