UCSF

ZINC19441305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 1.40 2.74 -59.29 4 4 1 70 256.738 3
Mid Mid (pH 6-8) 1.59 1.68 -54.98 3 4 0 76 255.73 3

Activity (Go SEA)

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