UCSF

ZINC19450366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 26 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) 0.53 12.07 -50.19 1 7 1 77 369.482 8
Mid Mid (pH 6-8) 0.53 8.85 -5.04 0 7 0 76 368.474 8

Activity (Go SEA)

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