UCSF

ZINC34683753

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 6.15 12.66 -45.14 1 4 1 42 436.041 7
Hi High (pH 8-9.5) 6.15 10.43 -7.21 0 4 0 41 435.033 7

Activity (Go SEA)

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