UCSF

ZINC32902704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 30 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) 3.52 6.28 -20.52 2 8 0 110 446.554 7
Hi High (pH 8-9.5) 3.58 5.36 -54.58 1 8 -1 117 445.546 7
Hi High (pH 8-9.5) 3.58 5.43 -102.67 0 8 -2 119 444.538 7
Hi High (pH 8-9.5) 3.52 6.35 -43.43 1 8 -1 112 445.546 7

Activity (Go SEA)

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