UCSF

ZINC00072656

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 1.57 5.48 -13.31 1 4 0 47 246.31 5
Mid Mid (pH 6-8) 1.57 5.95 -34.74 2 4 1 49 247.318 5

Activity (Go SEA)

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