UCSF

ZINC35057643

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) -1.36 3.12 -47.97 2 5 0 91 273.285 3
Mid Mid (pH 6-8) -1.36 1.99 -52.01 1 5 -1 86 272.277 3

Activity (Go SEA)

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