UCSF

ZINC34456697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) -3.31 -9.23 -146.59 4 9 -2 163 258.119 3
Mid Mid (pH 6-8) -3.31 -10.38 -54.61 5 9 -1 160 259.127 3

Activity (Go SEA)

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