UCSF

ZINC37844405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.28 9.25 -8.34 1 5 0 52 345.2 3
Mid Mid (pH 6-8) 2.28 10.04 -37.91 2 5 1 53 346.208 3

Activity (Go SEA)

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