UCSF

ZINC37051760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.18 8.41 -108.96 3 4 2 39 278.444 5
Hi High (pH 8-9.5) 1.18 6.19 -41.71 2 4 1 38 277.436 5
Mid Mid (pH 6-8) 1.18 7.03 -35.55 2 4 1 34 277.436 5

Activity (Go SEA)

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