UCSF

ZINC35135422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 3.14 10.24 -60.03 0 4 -1 60 308.785 4
Lo Low (pH 4.5-6) 3.14 8.19 -12.36 1 4 0 58 309.793 4

Activity (Go SEA)

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