UCSF

ZINC37188733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.17 1.87 -51.62 4 5 1 66 271.429 6
Hi High (pH 8-9.5) 1.17 0.75 -8.36 3 5 0 62 270.421 6
Mid Mid (pH 6-8) 1.17 2.93 -38.77 4 5 1 63 271.429 6
Mid Mid (pH 6-8) 1.17 4.12 -123.91 5 5 2 67 272.437 6

Activity (Go SEA)

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