UCSF

ZINC40076594

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.95 4.86 -61.13 1 9 -1 118 490.916 11
Lo Low (pH 4.5-6) 1.95 4.1 -19.92 2 9 0 115 491.924 11

Activity (Go SEA)

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