UCSF

ZINC01813234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 34 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) 3.05 8.43 -42.89 4 14 1 187 469.486 8
Hi High (pH 8-9.5) 3.05 6.07 -16.06 3 14 0 186 468.478 8

Activity (Go SEA)

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