UCSF

ZINC35419127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 8.31 17.36 -25.38 2 5 1 57 521.479 8
Mid Mid (pH 6-8) 8.31 17.59 -15.59 1 5 0 56 520.471 8
Mid Mid (pH 6-8) 8.31 17.42 -36.52 2 5 1 60 521.479 8
Lo Low (pH 4.5-6) 8.31 17.6 -84.93 3 5 2 61 522.487 8

Activity (Go SEA)

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