UCSF

ZINC39755415

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 3.82 10.52 -17.16 1 6 0 73 385.518 7
Hi High (pH 8-9.5) 4.01 9.29 -47.97 0 6 -1 79 384.51 7

Activity (Go SEA)

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