UCSF

ZINC32511793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 21 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) 2.85 9.65 -77.99 2 3 2 12 295.515 4
Hi High (pH 8-9.5) 2.85 7.58 -33.39 1 3 1 11 294.507 4
Mid Mid (pH 6-8) 2.85 11.92 -181.14 3 3 3 13 296.523 4
Mid Mid (pH 6-8) 2.85 9.58 -95.55 2 3 2 12 295.515 4

Activity (Go SEA)

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