UCSF

ZINC08907410

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 4.16 -3.49 -12.88 3 7 0 100 462.594 7
Lo Low (pH 4.5-6) 4.16 -3.38 -41.74 4 7 1 101 463.602 7

Activity (Go SEA)

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