UCSF

ZINC36754805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 No

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) -1.88 -1.69 -47.52 4 6 1 80 227.288 2
Hi High (pH 8-9.5) -1.88 -2.01 -8.99 3 6 0 79 226.28 2
Lo Low (pH 4.5-6) -1.88 0.5 -101.28 5 6 2 81 228.296 2

Activity (Go SEA)

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