UCSF

ZINC36732533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) 2.33 5.68 -30.85 3 3 1 43 214.358 6
Hi High (pH 8-9.5) 2.33 3.53 -4.64 2 3 0 42 213.35 6

Activity (Go SEA)

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