UCSF

ZINC42693218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 16 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) 1.51 5.41 -34.5 2 3 1 33 221.324 7
Hi High (pH 8-9.5) 1.51 4.12 -3.17 1 3 0 28 220.316 7
Mid Mid (pH 6-8) 1.52 6.22 -31.76 2 3 1 30 221.324 7

Activity (Go SEA)

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