UCSF

ZINC37000057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 5.81 10.71 -3.85 1 1 0 12 397.154 5
Mid Mid (pH 6-8) 5.81 11.41 -43.34 2 1 1 17 398.162 5

Activity (Go SEA)

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