UCSF

ZINC29687987

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 22 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) 4.11 9.73 -18.47 1 4 0 55 335.498 8
Hi High (pH 8-9.5) 4.29 8.66 -46.52 0 4 -1 61 334.49 8

Activity (Go SEA)

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