UCSF

ZINC37857882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 32 No

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) 5.08 10.23 -42.08 2 6 1 73 501.397 3
Mid Mid (pH 6-8) 5.08 10.99 -27.62 1 6 0 76 500.389 3

Activity (Go SEA)

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