UCSF

ZINC62671308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 36 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) 6.90 11.27 -44.56 1 7 1 68 505.579 3
Mid Mid (pH 6-8) 6.90 11.02 -15.38 0 7 0 67 504.571 3

Activity (Go SEA)

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