UCSF

ZINC42581991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 0.98 7.46 -117.02 4 2 2 32 246.398 4
Hi High (pH 8-9.5) 0.98 5.34 -2.51 2 2 0 29 244.382 4
Mid Mid (pH 6-8) 0.98 7.18 -31.02 3 2 1 30 245.39 4
Mid Mid (pH 6-8) 0.98 5.63 -44.79 3 2 1 31 245.39 4

Activity (Go SEA)

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