UCSF

ZINC21520468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 2.78 7.62 -39.73 2 3 1 37 302.225 5
Mid Mid (pH 6-8) 2.78 6.2 -8.92 1 3 0 32 301.217 5

Activity (Go SEA)

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