UCSF

ZINC00602865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 36 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) 6.21 2.92 -12.38 0 6 0 56 485.628 10
Mid Mid (pH 6-8) 2.80 3.04 -30.4 1 6 1 58 486.636 10

Activity (Go SEA)

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