UCSF

ZINC16690093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 26 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) 4.51 10.73 -36.2 1 5 0 58 370.522 4
Mid Mid (pH 6-8) 4.51 10.02 -34.82 2 5 1 55 371.53 4

Activity (Go SEA)

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