UCSF

ZINC31956593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 32 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) 3.30 11.47 -17.17 1 6 0 53 445.592 7
Mid Mid (pH 6-8) 3.30 13.83 -53.6 2 6 1 54 446.6 7

Activity (Go SEA)

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