UCSF

ZINC37812572

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) 0.76 5.4 -39.02 3 4 1 51 264.324 1
Mid Mid (pH 6-8) 0.76 3.17 -6.31 2 4 0 50 263.316 1

Activity (Go SEA)

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