UCSF

ZINC36775601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.67 4.61 -50.12 3 3 1 44 327.271 5
Hi High (pH 8-9.5) 1.67 3.54 -4.93 2 3 0 42 326.263 5
Lo Low (pH 4.5-6) 1.67 5.07 -101.56 4 3 2 45 328.279 5

Activity (Go SEA)

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