UCSF

ZINC42915851

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.63 5.6 -109.44 4 3 2 47 221.279 3
Hi High (pH 8-9.5) 0.63 4.74 -7.28 2 3 0 44 219.263 3
Mid Mid (pH 6-8) 0.63 5.12 -58.78 3 3 1 45 220.271 3

Activity (Go SEA)

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