UCSF

ZINC08846075

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 37 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) 4.80 2.47 -12.45 0 7 0 81 518.997 7
Lo Low (pH 4.5-6) 4.80 2.59 -46.07 1 7 1 83 520.005 7

Activity (Go SEA)

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