UCSF

ZINC20171593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 38 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) 4.71 12.36 -72.7 2 7 0 94 514.622 11
Hi High (pH 8-9.5) 4.71 10.01 -64.71 1 7 -1 93 513.614 11
Lo Low (pH 4.5-6) 4.71 11.4 -49.89 3 7 1 92 515.63 11

Activity (Go SEA)

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