UCSF

ZINC36671473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 1.51 5.25 -34.15 3 4 1 43 264.393 5
Hi High (pH 8-9.5) 1.51 4.71 -36.01 3 4 1 43 264.393 5

Activity (Go SEA)

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