UCSF

ZINC14747300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 35 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) 1.41 5.04 -21.23 4 10 0 135 482.537 11
Lo Low (pH 4.5-6) 1.41 5.29 -50.38 5 10 1 136 483.545 11

Activity (Go SEA)

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