UCSF

ZINC34667953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 3.08 6.79 -14.99 2 8 0 87 476.577 10
Mid Mid (pH 6-8) 3.08 7.11 -40.63 3 8 1 88 477.585 10
Lo Low (pH 4.5-6) 3.08 9.04 -49.97 3 8 1 88 477.585 10
Lo Low (pH 4.5-6) 3.08 9.36 -108.24 4 8 2 90 478.593 10

Activity (Go SEA)

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