UCSF

ZINC02588762

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 22 No

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) 0.18 7.24 -54.34 3 6 1 71 319.41 5
Hi High (pH 8-9.5) 0.19 4.74 -11.38 2 6 0 70 318.402 5
Hi High (pH 8-9.5) 0.18 4.76 -11.34 2 6 0 70 318.402 5

Activity (Go SEA)

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