UCSF

ZINC35430530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) 4.04 9.65 -10.62 1 5 0 63 401.919 3
Lo Low (pH 4.5-6) 4.04 10.14 -38.27 2 5 1 65 402.927 3

Activity (Go SEA)

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