UCSF

ZINC42915419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.30 4.76 -112.49 5 4 2 61 295.402 4
Hi High (pH 8-9.5) 1.30 4.11 -32.62 4 4 1 60 294.394 4
Mid Mid (pH 6-8) 1.30 2.45 -43.85 4 4 1 60 294.394 4

Activity (Go SEA)

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