UCSF

ZINC00079775

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.00 11.35 -12.81 0 4 0 43 280.356 2
Mid Mid (pH 6-8) 3.00 12.02 -45.08 2 4 1 47 281.364 2

Activity (Go SEA)

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