UCSF

ZINC41815783

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 26 No

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) 2.99 9.13 -40.63 0 5 -1 61 370.498 2
Mid Mid (pH 6-8) 2.53 10.42 -11.02 1 5 0 58 371.506 2

Activity (Go SEA)

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