UCSF

ZINC44223978

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 27 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 1.04 -22.88 5 10 0 152 368.353 4
Hi High (pH 8-9.5) 0.64 -1.49 -61.43 4 10 -1 155 367.345 4

Activity (Go SEA)

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