UCSF

ZINC06239587

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 34 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) 5.03 11.75 -56.01 0 6 -1 79 521.387 8
Mid Mid (pH 6-8) 5.03 1.35 -11.38 1 6 0 76 522.395 8
Mid Mid (pH 6-8) 4.45 1.22 -10.41 0 6 0 72 522.395 8

Activity (Go SEA)

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