UCSF

ZINC08738141

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 3.59 9.69 -56.18 0 8 -1 109 481.481 7
Mid Mid (pH 6-8) 3.01 1.1 -13.72 0 8 0 102 482.489 7
Lo Low (pH 4.5-6) 3.59 8.87 -15.88 1 8 0 106 482.489 7

Activity (Go SEA)

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