UCSF

ZINC20145749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 2.53 3.91 -41.43 3 4 1 49 281.42 7
Hi High (pH 8-9.5) 2.53 5.06 -63.4 2 4 0 52 280.412 7
Mid Mid (pH 6-8) 2.53 5.18 -39.31 3 4 1 46 281.42 7
Lo Low (pH 4.5-6) 2.53 6.42 -122.04 4 4 2 51 282.428 7

Activity (Go SEA)

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