UCSF

ZINC38548924

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 14 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) 1.95 3.99 -42.26 3 3 1 34 212.704 1
Mid Mid (pH 6-8) 1.95 4.16 -3.02 2 3 0 32 211.696 1

Activity (Go SEA)

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