UCSF

ZINC38216512

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 31 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) 2.76 11.46 -47.35 1 7 -1 99 429.537 10
Mid Mid (pH 6-8) 2.76 12.53 -33.4 2 7 0 103 430.545 10

Activity (Go SEA)

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