UCSF

ZINC10112878

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 26 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) 2.10 5.97 -53.52 0 6 -1 72 372.47 4
Lo Low (pH 4.5-6) 2.10 5.92 -19.72 1 6 0 70 373.478 4

Activity (Go SEA)

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