UCSF

ZINC45651362

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.86 8.88 -116.24 3 2 2 21 252.377 5
Hi High (pH 8-9.5) 2.86 5.28 -2.82 1 2 0 15 250.361 5
Mid Mid (pH 6-8) 2.86 7.71 -32.86 2 2 1 16 251.369 5
Lo Low (pH 4.5-6) 2.86 6.46 -45.5 2 2 1 20 251.369 5

Activity (Go SEA)

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