UCSF

ZINC42188645

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.04 8.59 -35.41 2 3 1 34 258.389 6
Hi High (pH 8-9.5) 3.04 8.19 -4.26 1 3 0 30 257.381 6

Activity (Go SEA)

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