UCSF

ZINC41540165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 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) 2.93 7.84 -59.03 0 7 -1 88 428.436 8
Lo Low (pH 4.5-6) 2.93 7.08 -19.14 1 7 0 85 429.444 8

Activity (Go SEA)

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