UCSF

ZINC77212282

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.60 11.53 -40.86 2 3 1 34 311.449 6
Hi High (pH 8-9.5) 3.60 9.44 -8.84 1 3 0 32 310.441 6

Activity (Go SEA)

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