UCSF

ZINC49011920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 No

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) 2.16 5.9 -45.42 3 4 1 49 283.417 9
Mid Mid (pH 6-8) 2.16 3.74 -15.53 2 4 0 48 282.409 9

Activity (Go SEA)

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