UCSF

ZINC42902766

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) 2.37 7.8 -47.84 3 3 1 45 266.368 3
Hi High (pH 8-9.5) 2.37 7.52 -7.8 2 3 0 44 265.36 3
Mid Mid (pH 6-8) 2.37 8.24 -98.32 4 3 2 47 267.376 3

Activity (Go SEA)

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