UCSF

ZINC42578796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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
Hi High (pH 8-9.5) 1.06 0.76 -39.1 3 4 1 43 270.441 7
Hi High (pH 8-9.5) 1.06 2.86 -31.4 3 4 1 43 270.441 7
Mid Mid (pH 6-8) 1.06 3.57 -95.38 4 4 2 44 271.449 7
Mid Mid (pH 6-8) 1.06 3.2 -104.11 4 4 2 45 271.449 7

Activity (Go SEA)

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