UCSF

ZINC05842334

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 39 Yes

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) 5.98 14.58 -141.14 0 7 -2 124 514.489 5
Mid Mid (pH 6-8) 5.98 14.79 -59.6 1 7 -1 121 515.497 5
Lo Low (pH 4.5-6) 5.98 13.38 -28.84 2 7 0 118 516.505 5

Activity (Go SEA)

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