UCSF

ZINC37812596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.83 6.19 -43.33 3 4 1 51 260.361 2
Mid Mid (pH 6-8) 0.83 3.96 -9.22 2 4 0 50 259.353 2

Activity (Go SEA)

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