UCSF

ZINC42910124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.73 8.53 -52.72 3 3 1 45 266.368 3
Hi High (pH 8-9.5) 2.73 8.22 -7.08 2 3 0 44 265.36 3
Mid Mid (pH 6-8) 2.73 9.01 -104.89 4 3 2 47 267.376 3

Activity (Go SEA)

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