UCSF

ZINC43437796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.83 8.18 -50.14 2 5 -1 81 299.435 10
Lo Low (pH 4.5-6) 3.83 6.21 -12.2 3 5 0 78 300.443 10

Activity (Go SEA)

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