UCSF

ZINC13494474

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 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) 2.10 2.45 -50.77 1 6 -1 89 302.335 3
Lo Low (pH 4.5-6) 2.10 3.57 -29.45 2 6 0 90 303.343 3

Activity (Go SEA)

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