UCSF

ZINC00200574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 5.44 1.41 -7.54 1 4 0 42 328.419 3
Mid Mid (pH 6-8) 1.70 1.59 -26.25 2 4 1 44 329.427 3

Activity (Go SEA)

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