UCSF

ZINC63761727

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 17 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) -0.18 5.36 -43.88 1 5 1 45 242.343 4
Hi High (pH 8-9.5) -0.18 3.17 -11.61 0 5 0 44 241.335 4

Activity (Go SEA)

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