UCSF

ZINC45690425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 4.52 10.27 -115.45 3 3 2 34 355.32 7
Mid Mid (pH 6-8) 4.52 8.39 -36.01 2 3 1 33 354.312 7
Mid Mid (pH 6-8) 4.52 9.2 -35.65 2 3 1 30 354.312 7

Activity (Go SEA)

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