UCSF

ZINC12953092

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 36 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) 5.09 11.8 -16.17 0 8 0 85 489.524 10
Lo Low (pH 4.5-6) 5.09 12.09 -37.26 1 8 1 87 490.532 10

Activity (Go SEA)

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