UCSF

ZINC34560525

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 6.61 17.12 -12.5 0 3 0 30 375.475 3
Mid Mid (pH 6-8) 6.61 16.66 -23.13 1 3 1 31 376.483 3

Activity (Go SEA)

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