UCSF

ZINC13206749

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 28 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) 2.12 8.87 -59.2 0 7 -1 99 374.376 4
Lo Low (pH 4.5-6) 2.56 8.94 -61.05 2 7 1 98 376.392 3
Lo Low (pH 4.5-6) 1.53 9.93 -62.25 1 7 1 95 376.392 4
Lo Low (pH 4.5-6) 2.12 8.04 -16.11 1 7 0 97 375.384 4

Activity (Go SEA)

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