UCSF

ZINC41587378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.18 5.53 -20.08 0 7 0 86 455.532 4
Lo Low (pH 4.5-6) 3.18 8.32 -70.76 1 7 1 87 456.54 4

Activity (Go SEA)

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