UCSF

ZINC58645339

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 28 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) 4.24 4.99 -42.01 1 6 -1 94 439.897 6
Hi High (pH 8-9.5) 4.24 5.04 -100.36 0 6 -2 96 438.889 6
Lo Low (pH 4.5-6) 4.24 4.96 -13.14 2 6 0 92 440.905 6

Activity (Go SEA)

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