UCSF

ZINC37871788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 3.55 9.01 -45.17 2 1 1 17 248.296 4
Mid Mid (pH 6-8) 3.55 7.64 -7.22 1 1 0 12 247.288 4

Activity (Go SEA)

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