UCSF

ZINC36775736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.61 6.22 -131.93 4 3 2 45 251.418 7
Hi High (pH 8-9.5) 1.61 4.26 -48.97 3 3 1 44 250.41 7
Hi High (pH 8-9.5) 1.61 5.72 -34.68 3 3 1 43 250.41 7

Activity (Go SEA)

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