UCSF

ZINC44685460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.41 10.04 -32.71 2 2 1 16 293.862 6
Hi High (pH 8-9.5) 3.41 7.64 -1.68 1 2 0 15 292.854 6
Lo Low (pH 4.5-6) 3.41 8.4 -43.05 2 2 1 20 293.862 6

Activity (Go SEA)

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