UCSF

ZINC34972174

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 0.58 4.16 -44.5 2 5 -1 70 206.254 1
Mid Mid (pH 6-8) -0.14 4.28 -10.02 3 5 0 73 207.262 1

Activity (Go SEA)

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