UCSF

ZINC45692782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 4.11 9.52 -30.58 2 2 1 20 275.46 8
Mid Mid (pH 6-8) 4.11 10.55 -34.69 2 2 1 16 275.46 8
Lo Low (pH 4.5-6) 4.11 11.42 -111.7 3 2 2 21 276.468 8

Activity (Go SEA)

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