UCSF

ZINC35135197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 3.58 8.8 -59.03 1 4 -1 69 282.404 7
Mid Mid (pH 6-8) 3.58 7.5 -10.69 2 4 0 66 283.412 7

Activity (Go SEA)

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