UCSF

ZINC42577206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 2.35 3.86 -9.22 4 4 0 71 235.331 3
Mid Mid (pH 6-8) 1.90 2.01 -49.62 4 4 1 69 236.339 3

Activity (Go SEA)

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