UCSF

ZINC41540132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 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) 3.23 7.68 -58.95 0 6 -1 79 396.394 7
Lo Low (pH 4.5-6) 3.23 6.93 -17.58 1 6 0 76 397.402 7

Activity (Go SEA)

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