UCSF

ZINC00238951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 4.72 0.59 -10.03 0 2 0 17 313.198 3
Mid Mid (pH 6-8) 0.98 0.77 -24.54 1 2 1 19 314.206 3

Activity (Go SEA)

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