UCSF

ZINC11973581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2008 32 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) 2.88 -2.34 -51.09 3 6 1 71 433.576 5
Lo Low (pH 4.5-6) 2.88 -2.23 -113.01 4 6 2 73 434.584 5

Activity (Go SEA)

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