UCSF

ZINC50046231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 2.04 4.55 -7.71 1 5 0 63 266.341 8
Lo Low (pH 4.5-6) 2.04 6.74 -31.01 2 5 1 64 267.349 8

Activity (Go SEA)

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