UCSF

ZINC09424310

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 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) 1.09 3.26 -69.53 2 10 -1 156 427.389 9
Mid Mid (pH 6-8) 1.54 2.28 -38.95 3 10 0 153 428.397 8
Mid Mid (pH 6-8) 0.51 -4.47 -36.65 2 10 0 149 428.397 9

Activity (Go SEA)

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