UCSF

ZINC32926620

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 33 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) 3.25 4.14 -28.24 3 8 0 121 491.566 8
Hi High (pH 8-9.5) 3.25 4.27 -82.59 1 8 -2 126 489.55 8
Mid Mid (pH 6-8) 3.25 4.2 -50.7 2 8 -1 124 490.558 8

Activity (Go SEA)

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