UCSF

ZINC00730639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.70 13.46 -59.62 1 4 1 40 467.383 6
Hi High (pH 8-9.5) 4.70 11.1 -11.91 0 4 0 39 466.375 6

Activity (Go SEA)

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