UCSF

ZINC32606374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.08 5.12 -57.85 3 8 0 121 452.467 6
Hi High (pH 8-9.5) 1.22 4.71 -57.44 2 8 -1 124 451.459 6

Activity (Go SEA)

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