UCSF

ZINC13131041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 32 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) 3.22 9.04 -57.2 0 7 -1 92 437.516 11
Lo Low (pH 4.5-6) 3.22 8.3 -14.62 1 7 0 89 438.524 11

Activity (Go SEA)

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