UCSF

ZINC40651385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 24 No

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) -4.47 -4.48 -509.62 3 14 -5 255 393.11 7
Mid Mid (pH 6-8) -4.47 -5.64 -359.87 4 14 -4 252 394.118 7
Lo Low (pH 4.5-6) -4.47 -6.71 -216.47 5 14 -3 249 395.126 7

Activity (Go SEA)

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