UCSF

ZINC00845981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 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) 3.14 5.72 -11.02 2 5 0 80 360.163 2
Hi High (pH 8-9.5) 3.21 4.33 -49.47 1 5 -1 86 359.155 2
Hi High (pH 8-9.5) 3.14 6.49 -36.95 1 5 -1 82 359.155 2

Activity (Go SEA)

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