UCSF

ZINC31914761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 4.24 10.2 -10.27 0 2 0 17 256.736 2
Mid Mid (pH 6-8) 4.24 10.62 -27.4 1 2 1 19 257.744 2

Activity (Go SEA)

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