UCSF

ZINC22181517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 30 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) 3.78 10.85 -11.11 1 6 0 73 399.498 5
Lo Low (pH 4.5-6) 3.78 11.04 -47.51 2 6 1 74 400.506 5

Activity (Go SEA)

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