UCSF

ZINC20464078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 33 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) 3.91 8.13 -54.08 2 8 1 91 463.436 8
Mid Mid (pH 6-8) 3.91 5.62 -14.32 1 8 0 90 462.428 8

Activity (Go SEA)

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