UCSF

ZINC21807035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.39 10.47 -60 0 5 -1 63 282.323 4
Mid Mid (pH 6-8) 2.39 10.95 -87 1 5 0 64 283.331 4

Activity (Go SEA)

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