UCSF

ZINC37101422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.33 6.98 -6.29 1 2 0 25 212.296 3
Mid Mid (pH 6-8) 3.33 7.33 -28.23 2 2 1 26 213.304 3

Activity (Go SEA)

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