UCSF

ZINC44263605

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 2.32 7.09 -8.41 2 5 0 64 256.309 2
Lo Low (pH 4.5-6) 2.32 7.33 -26.21 3 5 1 66 257.317 2

Activity (Go SEA)

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