UCSF

ZINC36618841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.91 5.92 -10.29 3 6 0 97 392.846 4
Mid Mid (pH 6-8) 3.91 5.25 -10.3 3 6 0 97 392.846 4
Lo Low (pH 4.5-6) 3.91 5.67 -44.53 4 6 1 99 393.854 4

Activity (Go SEA)

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