UCSF

ZINC51718797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 19 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) 3.70 6.7 -43.73 3 2 1 31 281.489 6
Hi High (pH 8-9.5) 3.70 6.42 -1.55 2 2 0 29 280.481 6
Mid Mid (pH 6-8) 3.70 7.87 -27.19 3 2 1 30 281.489 6

Activity (Go SEA)

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