UCSF

ZINC55236362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 31 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) 4.72 11.39 -19.21 1 5 0 50 430.939 4
Mid Mid (pH 6-8) 4.72 11.83 -32.83 2 5 1 51 431.947 4

Activity (Go SEA)

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