UCSF

ZINC27097851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.72 7.4 -13.92 1 8 0 98 493.434 8
Hi High (pH 8-9.5) 4.72 8.03 -36.46 0 8 -1 101 492.426 8
Lo Low (pH 4.5-6) 4.72 9.75 -59.55 2 8 1 100 494.442 8

Activity (Go SEA)

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