UCSF

ZINC32819600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 26 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) 1.90 5.27 -40.43 2 7 1 68 377.49 7
Hi High (pH 8-9.5) 1.90 3.13 -17.78 1 7 0 67 376.482 7
Mid Mid (pH 6-8) 1.72 4.28 -32.19 1 7 0 74 376.482 7
Mid Mid (pH 6-8) 2.46 4.69 -33.45 2 7 1 71 377.49 6

Activity (Go SEA)

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