UCSF

ZINC04493008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 27 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 8.73 -20.12 1 7 0 98 366.373 8
Hi High (pH 8-9.5) 3.50 6.59 -59.99 0 7 -1 101 365.365 8

Activity (Go SEA)

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