UCSF

ZINC00000014

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.56 1.66 -6.73 2 4 0 47 326.44 1
Mid Mid (pH 6-8) 2.56 4.33 -34.99 3 4 1 48 327.448 1

Activity (Go SEA)

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