UCSF

ZINC36325994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.58 0.41 -117.06 4 4 2 45 255.406 3
Hi High (pH 8-9.5) 0.58 0.15 -35.99 3 4 1 43 254.398 3
Hi High (pH 8-9.5) 0.58 -2.6 -46.79 3 4 1 43 254.398 3

Activity (Go SEA)

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