UCSF

ZINC35430270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 23 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) 2.11 7.78 -12.75 1 5 0 63 325.393 3
Lo Low (pH 4.5-6) 2.11 8.27 -38.98 2 5 1 65 326.401 3

Activity (Go SEA)

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