UCSF

ZINC25539710

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 28 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) 1.07 4.81 -50.56 4 7 1 94 396.393 6
Hi High (pH 8-9.5) 1.07 2.61 -18.88 3 7 0 93 395.385 6

Activity (Go SEA)

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