UCSF

ZINC36890463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 1.93 6.37 -54.67 1 5 -1 70 258.301 4
Lo Low (pH 4.5-6) 1.93 4.38 -10.86 2 5 0 67 259.309 4
Lo Low (pH 4.5-6) 1.93 6.5 -71.95 2 5 0 71 259.309 4

Activity (Go SEA)

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