UCSF

ZINC19838015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 2.29 6.46 -49.55 2 8 1 89 385.492 6
Mid Mid (pH 6-8) 2.29 4.15 -12.09 1 8 0 87 384.484 6

Activity (Go SEA)

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