UCSF

ZINC36984746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 10 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) -1.92 -0.87 -52.74 4 4 1 81 142.182 3
Hi High (pH 8-9.5) -1.92 -1.2 -14.68 3 4 0 79 141.174 3

Activity (Go SEA)

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