UCSF

ZINC36358232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 2.05 6.66 -45.18 2 6 1 68 369.486 8
Hi High (pH 8-9.5) 2.05 6.29 -36.46 1 6 0 71 368.478 8
Hi High (pH 8-9.5) 2.05 4.49 -9.86 1 6 0 67 368.478 8

Activity (Go SEA)

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