UCSF

ZINC35694803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.10 4.01 -48.09 4 4 1 73 256.329 5
Hi High (pH 8-9.5) 1.10 2.79 -11.19 3 4 0 68 255.321 5

Activity (Go SEA)

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