UCSF

ZINC37638610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 18 Yes

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) 1.37 8.32 -98.06 0 5 -2 97 256.298 8
Lo Low (pH 4.5-6) 1.37 6.31 -53.68 1 5 -1 94 257.306 8

Activity (Go SEA)

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