UCSF

ZINC13727306

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 2.07 1.44 -18.31 1 9 0 117 439.449 6
Lo Low (pH 4.5-6) 2.07 1.71 -51.11 2 9 1 118 440.457 6

Activity (Go SEA)

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