UCSF

ZINC36851090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.10 3.38 -51.99 2 5 1 63 229.3 7
Hi High (pH 8-9.5) -0.10 2.1 -10.13 1 5 0 59 228.292 7
Mid Mid (pH 6-8) -0.10 2.1 -8.04 1 5 0 59 228.292 7

Activity (Go SEA)

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