UCSF

ZINC59496051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 26 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) 1.03 6.08 -55.91 2 10 -1 126 362.366 4
Mid Mid (pH 6-8) 1.03 6.41 -53.33 3 10 0 127 363.374 4
Lo Low (pH 4.5-6) 1.03 4.49 -33.91 4 10 1 125 364.382 4

Activity (Go SEA)

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