UCSF

ZINC36326742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 13 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) 0.41 -0.43 -35.3 4 4 1 64 186.279 4
Hi High (pH 8-9.5) -2.50 -0.27 -6.2 4 4 0 64 185.271 4
Mid Mid (pH 6-8) 0.41 1.74 -103.03 5 4 2 65 187.287 4

Activity (Go SEA)

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