UCSF

ZINC08648050

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 18 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) 1.92 6.08 -11.58 1 4 0 59 241.294 3
Hi High (pH 8-9.5) 2.38 5.16 -45.08 0 4 -1 62 240.286 3
Lo Low (pH 4.5-6) 1.92 6.5 -48.62 2 4 1 60 242.302 3

Activity (Go SEA)

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