UCSF

ZINC42332735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 26 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) 3.29 9.93 -46.39 3 4 1 49 354.449 7
Hi High (pH 8-9.5) 3.29 7.7 -14.28 2 4 0 48 353.441 7

Activity (Go SEA)

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