UCSF

ZINC23411534

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 23 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) 2.34 6.11 -18.16 1 5 0 50 312.417 2
Mid Mid (pH 6-8) 2.34 8.51 -59.27 2 5 1 51 313.425 2
Mid Mid (pH 6-8) 2.34 6.51 -34.58 2 5 1 51 313.425 2
Lo Low (pH 4.5-6) 2.34 8.92 -115.06 3 5 2 53 314.433 2

Activity (Go SEA)

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