UCSF

ZINC34669220

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 3.27 7.88 -9.75 1 5 0 48 406.555 6
Lo Low (pH 4.5-6) 3.27 10.09 -49.59 2 5 1 50 407.563 6

Activity (Go SEA)

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