UCSF

ZINC45699151

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.44 6.8 -15.06 0 6 0 75 292.335 4
Lo Low (pH 4.5-6) 2.44 8.7 -56.21 1 6 1 77 293.343 4

Activity (Go SEA)

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