UCSF

ZINC58603496

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 24 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) 2.76 6.73 -10.59 3 7 0 92 332.404 8
Mid Mid (pH 6-8) 2.76 7.13 -34.8 4 7 1 93 333.412 8

Activity (Go SEA)

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