UCSF

ZINC36769946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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 -0.09 -35.03 4 4 1 64 186.279 4
Hi High (pH 8-9.5) -2.50 0.07 -6.21 4 4 0 64 185.271 4
Mid Mid (pH 6-8) 0.41 2.18 -105.32 5 4 2 65 187.287 4

Activity (Go SEA)

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