UCSF

ZINC44132989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.78 6.79 -38.46 2 3 1 28 291.459 4
Hi High (pH 8-9.5) 2.78 7.15 -35.12 2 3 1 28 291.459 4
Lo Low (pH 4.5-6) 2.78 9.39 -103.84 3 3 2 29 292.467 4

Activity (Go SEA)

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