UCSF

ZINC37466256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.40 2.97 -45.92 3 3 1 34 282.374 8
Mid Mid (pH 6-8) 2.40 5.08 -102.89 4 3 2 35 283.382 8
Mid Mid (pH 6-8) 2.40 4.78 -129.19 4 3 2 35 283.382 8

Activity (Go SEA)

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